(3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide

C15H24N4O2 — CID 125175125

IUPAC(3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)NCCc2ccn[nH]2)CCC1=O
InChIInChI=1S/C15H24N4O2/c1-11(2)9-19-10-12(3-4-14(19)20)15(21)16-7-5-13-6-8-17-18-13/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,16,21)(H,17,18)/t12-/m0/s1
InChIKeyHGMUKESVTSHFFP-LBPRGKRZSA-N
MW292.38 g/mol
LogP0.96
Rot. Bonds6

About (3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide

(3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 125175125) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID125175125
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)NCCc2ccn[nH]2)CCC1=O
InChIInChI=1S/C15H24N4O2/c1-11(2)9-19-10-12(3-4-14(19)20)15(21)16-7-5-13-6-8-17-18-13/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,16,21)(H,17,18)/t12-/m0/s1
InChIKeyHGMUKESVTSHFFP-LBPRGKRZSA-N
XLogP0.96
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 118782726
(3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
CID 126450610
(3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 125177723
5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 155499154
(3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 137157339
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
1-methyl-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 61218006
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
(1S,3R,4R)-3-propoxy-4-(propylcarbamoylamino)-N-[2-(1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 157017225
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245
(3R)-6-oxo-N-(2-propan-2-yloxyethyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97155814
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125427

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide (CID 125175125) is (3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide is CC(C)CN1C[C@@H](C(=O)NCCc2ccn[nH]2)CCC1=O.
What is the InChIKey of (3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is HGMUKESVTSHFFP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)9-19-10-12(3-4-14(19)20)15(21)16-7-5-13-6-8-17-18-13/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,16,21)(H,17,18)/t12-/m0/s1.
What are the key properties of (3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 125175125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).