(2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide

C15H15ClN4O2 — CID 146122044

IUPAC(2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2)N1
InChIInChI=1S/C15H15ClN4O2/c16-11-4-1-2-6-13(11)20-9-10(8-17-20)18-15(22)12-5-3-7-14(21)19-12/h1-2,4,6,8-9,12H,3,5,7H2,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyDOWHSKFRNDJCBK-GFCCVEGCSA-N
MW318.76 g/mol
LogP2.13
Rot. Bonds3

About (2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide

(2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide (PubChem CID 146122044) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is (2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide
PubChem CID146122044
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name(2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2)N1
InChIInChI=1S/C15H15ClN4O2/c16-11-4-1-2-6-13(11)20-9-10(8-17-20)18-15(22)12-5-3-7-14(21)19-12/h1-2,4,6,8-9,12H,3,5,7H2,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyDOWHSKFRNDJCBK-GFCCVEGCSA-N
XLogP2.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide (CID 146122044) is (2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide is O=C1CCC[C@H](C(=O)Nc2cnn(-c3ccccc3Cl)c2)N1.
What is the InChIKey of (2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide?
The InChIKey is DOWHSKFRNDJCBK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-11-4-1-2-6-13(11)20-9-10(8-17-20)18-15(22)12-5-3-7-14(21)19-12/h1-2,4,6,8-9,12H,3,5,7H2,(H,18,22)(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide?
(2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146122044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).