(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C24H32N4O2 — CID 42565397

IUPAC(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C24H32N4O2/c1-26(15-20-14-25-28(17-20)22-10-6-3-7-11-22)24(30)21-12-13-23(29)27(18-21)16-19-8-4-2-5-9-19/h3,6-7,10-11,14,17,19,21H,2,4-5,8-9,12-13,15-16,18H2,1H3/t21-/m1/s1
InChIKeyNZPNUYBCZNIJNN-OAQYLSRUSA-N
MW408.55 g/mol
LogP3.65
Rot. Bonds6

About (3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide

(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 42565397) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID42565397
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C24H32N4O2/c1-26(15-20-14-25-28(17-20)22-10-6-3-7-11-22)24(30)21-12-13-23(29)27(18-21)16-19-8-4-2-5-9-19/h3,6-7,10-11,14,17,19,21H,2,4-5,8-9,12-13,15-16,18H2,1H3/t21-/m1/s1
InChIKeyNZPNUYBCZNIJNN-OAQYLSRUSA-N
XLogP3.65
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8962325
1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 51237803
(3S)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide
CID 8962417
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558627
N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 30039620
methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97206029
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 72860237
(3R)-N-cyclohexyl-1-(cyclohexylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 42593721
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166183
N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167961055
(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 42592436

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 42565397) is (3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of (3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is NZPNUYBCZNIJNN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-26(15-20-14-25-28(17-20)22-10-6-3-7-11-22)24(30)21-12-13-23(29)27(18-21)16-19-8-4-2-5-9-19/h3,6-7,10-11,14,17,19,21H,2,4-5,8-9,12-13,15-16,18H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42565397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).