(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide

C24H28N4O2 — CID 26871829

IUPAC(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4cc(C)[nH]n4)C3)cc2)c1
InChIInChI=1S/C24H28N4O2/c1-17-13-22(27-26-17)16-28-12-4-6-20(15-28)24(29)25-21-10-8-18(9-11-21)19-5-3-7-23(14-19)30-2/h3,5,7-11,13-14,20H,4,6,12,15-16H2,1-2H3,(H,25,29)(H,26,27)/t20-/m1/s1
InChIKeyMSSFTQMFPUPUOQ-HXUWFJFHSA-N
MW404.51 g/mol
LogP4.24
Rot. Bonds6

About (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide

(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 26871829) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID26871829
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4cc(C)[nH]n4)C3)cc2)c1
InChIInChI=1S/C24H28N4O2/c1-17-13-22(27-26-17)16-28-12-4-6-20(15-28)24(29)25-21-10-8-18(9-11-21)19-5-3-7-23(14-19)30-2/h3,5,7-11,13-14,20H,4,6,12,15-16H2,1-2H3,(H,25,29)(H,26,27)/t20-/m1/s1
InChIKeyMSSFTQMFPUPUOQ-HXUWFJFHSA-N
XLogP4.24
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 25482833
1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24790060
methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72901973
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24794194
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide
CID 25379326
(3S)-1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 42213030
1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 24792091
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 26397760
N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45207506
N-(4-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929907
1-[(2,6-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919691
(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide
CID 97274473

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide (CID 26871829) is (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide is COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4cc(C)[nH]n4)C3)cc2)c1.
What is the InChIKey of (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is MSSFTQMFPUPUOQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-13-22(27-26-17)16-28-12-4-6-20(15-28)24(29)25-21-10-8-18(9-11-21)19-5-3-7-23(14-19)30-2/h3,5,7-11,13-14,20H,4,6,12,15-16H2,1-2H3,(H,25,29)(H,26,27)/t20-/m1/s1.
What are the key properties of (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide?
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 26871829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).