(2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C16H26N4OS — CID 129446287

IUPAC(2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCCS[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1
InChIInChI=1S/C16H26N4OS/c1-2-22-14-7-6-13(9-14)19-16(21)20-8-4-3-5-15(20)12-10-17-18-11-12/h10-11,13-15H,2-9H2,1H3,(H,17,18)(H,19,21)/t13-,14-,15+/m1/s1
InChIKeyRMBYJXADCZLHKX-KFWWJZLASA-N
MW322.48 g/mol
LogP3.32
Rot. Bonds4

About (2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

(2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 129446287) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is (2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID129446287
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name(2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCCS[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1
InChIInChI=1S/C16H26N4OS/c1-2-22-14-7-6-13(9-14)19-16(21)20-8-4-3-5-15(20)12-10-17-18-11-12/h10-11,13-15H,2-9H2,1H3,(H,17,18)(H,19,21)/t13-,14-,15+/m1/s1
InChIKeyRMBYJXADCZLHKX-KFWWJZLASA-N
XLogP3.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 97252299
(2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99821034
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
(2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 129425227
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521565
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 86789916
(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99777080
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 129446287) is (2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is CCS[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1.
What is the InChIKey of (2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is RMBYJXADCZLHKX-KFWWJZLASA-N. The full InChI is InChI=1S/C16H26N4OS/c1-2-22-14-7-6-13(9-14)19-16(21)20-8-4-3-5-15(20)12-10-17-18-11-12/h10-11,13-15H,2-9H2,1H3,(H,17,18)(H,19,21)/t13-,14-,15+/m1/s1.
What are the key properties of (2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
(2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 129446287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).