(3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

C19H30N4O3 — CID 42508550

IUPAC(3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCc1nc(CN(C)C(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)no1
InChIInChI=1S/C19H30N4O3/c1-3-17-20-16(21-26-17)13-22(2)19(25)15-9-10-18(24)23(12-15)11-14-7-5-4-6-8-14/h14-15H,3-13H2,1-2H3/t15-/m0/s1
InChIKeyVZYXOVUZCLTRKS-HNNXBMFYSA-N
MW362.47 g/mol
LogP2.41
Rot. Bonds6

About (3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

(3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 42508550) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID42508550
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCc1nc(CN(C)C(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)no1
InChIInChI=1S/C19H30N4O3/c1-3-17-20-16(21-26-17)13-22(2)19(25)15-9-10-18(24)23(12-15)11-14-7-5-4-6-8-14/h14-15H,3-13H2,1-2H3/t15-/m0/s1
InChIKeyVZYXOVUZCLTRKS-HNNXBMFYSA-N
XLogP2.41
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 42508550) is (3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is CCc1nc(CN(C)C(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)no1.
What is the InChIKey of (3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is VZYXOVUZCLTRKS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-3-17-20-16(21-26-17)13-22(2)19(25)15-9-10-18(24)23(12-15)11-14-7-5-4-6-8-14/h14-15H,3-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
(3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42508550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).