(3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide

C17H26N4O2 — CID 164641706

IUPAC(3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide
SMILESCC(C)Cn1ncc(NC(=O)N2CCC(=O)[C@@H](C)C2)c1C1CC1
InChIInChI=1S/C17H26N4O2/c1-11(2)9-21-16(13-4-5-13)14(8-18-21)19-17(23)20-7-6-15(22)12(3)10-20/h8,11-13H,4-7,9-10H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyQRSDEXFWVZQCOC-LBPRGKRZSA-N
MW318.42 g/mol
LogP2.86
Rot. Bonds4

About (3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide

(3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide (PubChem CID 164641706) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide
PubChem CID164641706
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide
SMILESCC(C)Cn1ncc(NC(=O)N2CCC(=O)[C@@H](C)C2)c1C1CC1
InChIInChI=1S/C17H26N4O2/c1-11(2)9-21-16(13-4-5-13)14(8-18-21)19-17(23)20-7-6-15(22)12(3)10-20/h8,11-13H,4-7,9-10H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyQRSDEXFWVZQCOC-LBPRGKRZSA-N
XLogP2.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide (CID 164641706) is (3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide is CC(C)Cn1ncc(NC(=O)N2CCC(=O)[C@@H](C)C2)c1C1CC1.
What is the InChIKey of (3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide?
The InChIKey is QRSDEXFWVZQCOC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(2)9-21-16(13-4-5-13)14(8-18-21)19-17(23)20-7-6-15(22)12(3)10-20/h8,11-13H,4-7,9-10H2,1-3H3,(H,19,23)/t12-/m0/s1.
What are the key properties of (3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide?
(3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide is sourced from PubChem (CID 164641706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).