(3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide

C25H36N4O2 — CID 26316206

IUPAC(3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1
InChIInChI=1S/C25H36N4O2/c1-4-29(5-2)23(30)20-9-8-16-28(17-20)18-22-26-24(27-31-22)25(14-6-7-15-25)21-12-10-19(3)11-13-21/h10-13,20H,4-9,14-18H2,1-3H3/t20-/m0/s1
InChIKeyCTIZGDMHVAAOCV-FQEVSTJZSA-N
MW424.59 g/mol
LogP4.32
Rot. Bonds7

About (3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide

(3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 26316206) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is (3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID26316206
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name(3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1
InChIInChI=1S/C25H36N4O2/c1-4-29(5-2)23(30)20-9-8-16-28(17-20)18-22-26-24(27-31-22)25(14-6-7-15-25)21-12-10-19(3)11-13-21/h10-13,20H,4-9,14-18H2,1-3H3/t20-/m0/s1
InChIKeyCTIZGDMHVAAOCV-FQEVSTJZSA-N
XLogP4.32
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 45219214
3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29085110
(3S)-N,N-diethyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 42245790
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2057088
3-[1-(4-methylphenyl)cyclopentyl]-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42517827
3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 29257322
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43930302
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 43930303
1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 25449787

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 26316206) is (3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1.
What is the InChIKey of (3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is CTIZGDMHVAAOCV-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-4-29(5-2)23(30)20-9-8-16-28(17-20)18-22-26-24(27-31-22)25(14-6-7-15-25)21-12-10-19(3)11-13-21/h10-13,20H,4-9,14-18H2,1-3H3/t20-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
(3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 26316206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).