[4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol

C21H30N4O2 — CID 118263775

IUPAC[4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESCc1cnc(N2CCC(NC3CCCCC3)C(CO)C2)c(-c2ncco2)c1
InChIInChI=1S/C21H30N4O2/c1-15-11-18(21-22-8-10-27-21)20(23-12-15)25-9-7-19(16(13-25)14-26)24-17-5-3-2-4-6-17/h8,10-12,16-17,19,24,26H,2-7,9,13-14H2,1H3
InChIKeyXOSGIGLAWNCRRB-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.15
Rot. Bonds5

About [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol

[4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 118263775) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID118263775
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name[4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESCc1cnc(N2CCC(NC3CCCCC3)C(CO)C2)c(-c2ncco2)c1
InChIInChI=1S/C21H30N4O2/c1-15-11-18(21-22-8-10-27-21)20(23-12-15)25-9-7-19(16(13-25)14-26)24-17-5-3-2-4-6-17/h8,10-12,16-17,19,24,26H,2-7,9,13-14H2,1H3
InChIKeyXOSGIGLAWNCRRB-UHFFFAOYSA-N
XLogP3.15
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol (CID 118263775) is [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol is Cc1cnc(N2CCC(NC3CCCCC3)C(CO)C2)c(-c2ncco2)c1.
What is the InChIKey of [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is XOSGIGLAWNCRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15-11-18(21-22-8-10-27-21)20(23-12-15)25-9-7-19(16(13-25)14-26)24-17-5-3-2-4-6-17/h8,10-12,16-17,19,24,26H,2-7,9,13-14H2,1H3.
What are the key properties of [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol?
[4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 370.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylamino)-1-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 118263775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).