[4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone

C55H71ClN14O4 — CID 158651972

IUPAC[4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCNc1nnc(-c2ccc(N3CCN(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)[C@@H](CC)C3)c(C)n2)o1.CC[C@H]1CN(c2ccc(-c3nnc(N)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C28H36ClN7O2.C27H35N7O2/c1-4-22-18-35(25-11-10-24(31-19(25)3)26-32-33-28(38-26)30-5-2)16-17-36(22)23-12-14-34(15-13-23)27(37)20-6-8-21(29)9-7-20;1-4-21-17-33(24-10-9-23(29-19(24)3)25-30-31-27(28)36-25)15-16-34(21)22-11-13-32(14-12-22)26(35)20-7-5-18(2)6-8-20/h6-11,22-23H,4-5,12-18H2,1-3H3,(H,30,33);5-10,21-22H,4,11-17H2,1-3H3,(H2,28,31)/t22-;21-/m00/s1
InChIKeyIBQZHXHOQZYJRA-RANJIIOLSA-N
MW1027.72 g/mol
LogP8.27
Rot. Bonds12

About [4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone

[4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 158651972) has the molecular formula C55H71ClN14O4 and a molecular weight of 1027.72 g/mol. Its IUPAC name is [4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID158651972
Molecular FormulaC55H71ClN14O4
Molecular Weight1027.72 g/mol
Exact Mass1026.55
IUPAC Name[4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCNc1nnc(-c2ccc(N3CCN(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)[C@@H](CC)C3)c(C)n2)o1.CC[C@H]1CN(c2ccc(-c3nnc(N)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C28H36ClN7O2.C27H35N7O2/c1-4-22-18-35(25-11-10-24(31-19(25)3)26-32-33-28(38-26)30-5-2)16-17-36(22)23-12-14-34(15-13-23)27(37)20-6-8-21(29)9-7-20;1-4-21-17-33(24-10-9-23(29-19(24)3)25-30-31-27(28)36-25)15-16-34(21)22-11-13-32(14-12-22)26(35)20-7-5-18(2)6-8-20/h6-11,22-23H,4-5,12-18H2,1-3H3,(H,30,33);5-10,21-22H,4,11-17H2,1-3H3,(H2,28,31)/t22-;21-/m00/s1
InChIKeyIBQZHXHOQZYJRA-RANJIIOLSA-N
XLogP8.27
TPSA195.25 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.72
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze [4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-chloro-3-fluorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 24849932
(3,4-difluorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 24849975
(4-chloro-3-fluorophenyl)-[4-[(2S,5R)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone
CID 24849977
[4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-chloro-3-fluorophenyl)methanone
CID 24850016
[4-[(2S,5R)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chloro-3-fluorophenyl)methanone
CID 24850017
5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 24850058
[4-[(2S,5R)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpyridin-1-ium-3-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chloro-3-fluorophenyl)methanone
CID 164035727
5-[5-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 24850020
5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine
CID 16742563
5-[5-[(2R,5S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-2-methylpiperazin-1-yl]-6-methyl-2-pyridinyl]-N-ethyl-1,3,4-oxadiazol-2-amine
CID 24849929
(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 24849931
(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone
CID 24849978

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone (CID 158651972) is [4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone is CCNc1nnc(-c2ccc(N3CCN(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)[C@@H](CC)C3)c(C)n2)o1.CC[C@H]1CN(c2ccc(-c3nnc(N)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of [4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is IBQZHXHOQZYJRA-RANJIIOLSA-N. The full InChI is InChI=1S/C28H36ClN7O2.C27H35N7O2/c1-4-22-18-35(25-11-10-24(31-19(25)3)26-32-33-28(38-26)30-5-2)16-17-36(22)23-12-14-34(15-13-23)27(37)20-6-8-21(29)9-7-20;1-4-21-17-33(24-10-9-23(29-19(24)3)25-30-31-27(28)36-25)15-16-34(21)22-11-13-32(14-12-22)26(35)20-7-5-18(2)6-8-20/h6-11,22-23H,4-5,12-18H2,1-3H3,(H,30,33);5-10,21-22H,4,11-17H2,1-3H3,(H2,28,31)/t22-;21-/m00/s1.
What are the key properties of [4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone?
[4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 1027.72 g/mol, XLogP of 8.27, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-4-[6-(5-amino-1,3,4-oxadiazol-2-yl)-2-methyl-3-pyridinyl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone;(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-methyl-3-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 158651972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).