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

C18H24N4OS — CID 95968867

IUPAC(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC[C@H](c2ncc[nH]2)C1)Sc1ccccc1
InChIInChI=1S/C18H24N4OS/c1-14(24-16-7-3-2-4-8-16)12-21-18(23)22-11-5-6-15(13-22)17-19-9-10-20-17/h2-4,7-10,14-15H,5-6,11-13H2,1H3,(H,19,20)(H,21,23)/t14-,15+/m1/s1
InChIKeyNXSYEPZNOCVJAH-CABCVRRESA-N
MW344.48 g/mol
LogP3.48
Rot. Bonds5

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

(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide (PubChem CID 95968867) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
PubChem CID95968867
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC[C@H](c2ncc[nH]2)C1)Sc1ccccc1
InChIInChI=1S/C18H24N4OS/c1-14(24-16-7-3-2-4-8-16)12-21-18(23)22-11-5-6-15(13-22)17-19-9-10-20-17/h2-4,7-10,14-15H,5-6,11-13H2,1H3,(H,19,20)(H,21,23)/t14-,15+/m1/s1
InChIKeyNXSYEPZNOCVJAH-CABCVRRESA-N
XLogP3.48
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
CID 95968600
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967517
3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide
CID 127345387
1-(2-phenylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122004198
(3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97212512
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
(2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide
CID 111508836
(3R)-3-(1H-imidazol-2-yl)-N-[3-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 126437006
3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide
CID 136553406
N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 122562007
N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 136513087
(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97318687

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide (CID 95968867) is (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide is C[C@H](CNC(=O)N1CCC[C@H](c2ncc[nH]2)C1)Sc1ccccc1.
What is the InChIKey of (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide?
The InChIKey is NXSYEPZNOCVJAH-CABCVRRESA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14(24-16-7-3-2-4-8-16)12-21-18(23)22-11-5-6-15(13-22)17-19-9-10-20-17/h2-4,7-10,14-15H,5-6,11-13H2,1H3,(H,19,20)(H,21,23)/t14-,15+/m1/s1.
What are the key properties of (3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide?
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.48, 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-phenylsulfanylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 95968867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).