(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide

C17H24N4OS — CID 95967517

IUPAC(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
SMILESC[C@@H](CNC(=O)N1CCC[C@H](c2ncc[nH]2)C1)Cc1cccs1
InChIInChI=1S/C17H24N4OS/c1-13(10-15-5-3-9-23-15)11-20-17(22)21-8-2-4-14(12-21)16-18-6-7-19-16/h3,5-7,9,13-14H,2,4,8,10-12H2,1H3,(H,18,19)(H,20,22)/t13-,14+/m1/s1
InChIKeyHOALZYOKNQGGRY-KGLIPLIRSA-N
MW332.47 g/mol
LogP3.24
Rot. Bonds5

About (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide

(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide (PubChem CID 95967517) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
PubChem CID95967517
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
SMILESC[C@@H](CNC(=O)N1CCC[C@H](c2ncc[nH]2)C1)Cc1cccs1
InChIInChI=1S/C17H24N4OS/c1-13(10-15-5-3-9-23-15)11-20-17(22)21-8-2-4-14(12-21)16-18-6-7-19-16/h3,5-7,9,13-14H,2,4,8,10-12H2,1H3,(H,18,19)(H,20,22)/t13-,14+/m1/s1
InChIKeyHOALZYOKNQGGRY-KGLIPLIRSA-N
XLogP3.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[N'-[3-(1H-imidazol-2-yl)propyl]carbamimidoyl]-3-thiophen-2-ylbutanamide
CID 90667229
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CID 45830130
1-(1-Imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47220679
N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 53499624
1-(2-Methyl-1-thiophen-2-ylpropyl)-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 53505002
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 53566727
N-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 71989834
2-(4-imidazol-1-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 72134506
1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
CID 75425732
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 86774740
(3S)-3-[1-(2-amino-2-oxoethyl)imidazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 97282690
1-[2-[1-(Difluoromethyl)imidazol-2-yl]ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 60221819

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide (CID 95967517) is (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide is C[C@@H](CNC(=O)N1CCC[C@H](c2ncc[nH]2)C1)Cc1cccs1.
What is the InChIKey of (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide?
The InChIKey is HOALZYOKNQGGRY-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13(10-15-5-3-9-23-15)11-20-17(22)21-8-2-4-14(12-21)16-18-6-7-19-16/h3,5-7,9,13-14H,2,4,8,10-12H2,1H3,(H,18,19)(H,20,22)/t13-,14+/m1/s1.
What are the key properties of (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide?
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 95967517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).