[4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate

C105H156N24O11 — CID 158389857

About [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate

[4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate (PubChem CID 158389857) has the molecular formula C105H156N24O11 and a molecular weight of 1930.56 g/mol. Its IUPAC name is [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate.

Molecular Properties

• Compound Name: [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate
• PubChem CID: 158389857
• Molecular Formula: C105H156N24O11
• Molecular Weight: 1930.56 g/mol
• Exact Mass: 1929.24
• IUPAC Name: [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate
• SMILES: CCc1noc(-c2cc(C)cnc2N2CCC(NC3CCCCC3)C(CO)C2)n1.COC(=O)C(/C=C(/C)N)=C(/N)N1CCC(NC2CCCCC2)C(CO)C1.COC1CN(c2ncc(C)cc2-c2nc(C)no2)CCC1NC1CCCCC1.Cc1cnc(N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)c(-c2nc(C)no2)c1.Cc1noc(-c2cc3ccccc3nc2N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)n1
• InChI: InChI=1S/C23H29N5O2.C22H33N5O2.C21H31N5O2.C20H29N5O2.C19H34N4O3/c1-15-24-23(30-27-15)18-13-16-7-5-6-10-19(16)26-22(18)28-12-11-20(21(29)14-28)25-17-8-3-2-4-9-17;1-3-20-25-22(29-26-20)18-11-15(2)12-23-21(18)27-10-9-19(16(13-27)14-28)24-17-7-5-4-6-8-17;1-14-11-17(21-23-15(2)25-28-21)20(22-12-14)26-10-9-18(19(13-26)27-3)24-16-7-5-4-6-8-16;1-13-10-16(20-22-14(2)24-27-20)19(21-11-13)25-9-8-17(18(26)12-25)23-15-6-4-3-5-7-15;1-13(20)10-16(19(25)26-2)18(21)23-9-8-17(14(11-23)12-24)22-15-6-4-3-5-7-15/h5-7,10,13,17,20-21,25,29H,2-4,8-9,11-12,14H2,1H3;11-12,16-17,19,24,28H,3-10,13-14H2,1-2H3;11-12,16,18-19,24H,4-10,13H2,1-3H3;10-11,15,17-18,23,26H,3-9,12H2,1-2H3;10,14-15,17,22,24H,3-9,11-12,20-21H2,1-2H3/b;;;;13-10-,18-16-/t20-,21-;;;17-,18-;/m1..1./s1
• InChIKey: GWUZRPIYFMNBIF-UZMCRRSHSA-N
• XLogP: 13.24
• TPSA: 452.08 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1930.56
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate?

The IUPAC name of [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate (CID 158389857) is [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate.

What is the SMILES notation for [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate?

The canonical SMILES for [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate is CCc1noc(-c2cc(C)cnc2N2CCC(NC3CCCCC3)C(CO)C2)n1.COC(=O)C(/C=C(/C)N)=C(/N)N1CCC(NC2CCCCC2)C(CO)C1.COC1CN(c2ncc(C)cc2-c2nc(C)no2)CCC1NC1CCCCC1.Cc1cnc(N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)c(-c2nc(C)no2)c1.Cc1noc(-c2cc3ccccc3nc2N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)n1.

What is the InChIKey of [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate?

The InChIKey is GWUZRPIYFMNBIF-UZMCRRSHSA-N. The full InChI is InChI=1S/C23H29N5O2.C22H33N5O2.C21H31N5O2.C20H29N5O2.C19H34N4O3/c1-15-24-23(30-27-15)18-13-16-7-5-6-10-19(16)26-22(18)28-12-11-20(21(29)14-28)25-17-8-3-2-4-9-17;1-3-20-25-22(29-26-20)18-11-15(2)12-23-21(18)27-10-9-19(16(13-27)14-28)24-17-7-5-4-6-8-17;1-14-11-17(21-23-15(2)25-28-21)20(22-12-14)26-10-9-18(19(13-26)27-3)24-16-7-5-4-6-8-16;1-13-10-16(20-22-14(2)24-27-20)19(21-11-13)25-9-8-17(18(26)12-25)23-15-6-4-3-5-7-15;1-13(20)10-16(19(25)26-2)18(21)23-9-8-17(14(11-23)12-24)22-15-6-4-3-5-7-15/h5-7,10,13,17,20-21,25,29H,2-4,8-9,11-12,14H2,1H3;11-12,16-17,19,24,28H,3-10,13-14H2,1-2H3;11-12,16,18-19,24H,4-10,13H2,1-3H3;10-11,15,17-18,23,26H,3-9,12H2,1-2H3;10,14-15,17,22,24H,3-9,11-12,20-21H2,1-2H3/b;;;;13-10-,18-16-/t20-,21-;;;17-,18-;/m1..1./s1.

What are the key properties of [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate?

[4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate has a molecular weight of 1930.56 g/mol, XLogP of 13.24, 25 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(cyclohexylamino)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-methyl-2-pyridinyl]piperidin-3-yl]methanol;(3R,4R)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol;(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-ol;N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine;methyl (Z,2Z)-4-amino-2-[amino-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]methylidene]pent-3-enoate is sourced from PubChem (CID 158389857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).