(3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide

C27H32N4O2 — CID 95851003

IUPAC(3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CCn2nccc2C)C1
InChIInChI=1S/C27H32N4O2/c1-21-12-15-29-31(21)17-13-25(32)30-16-7-14-27(20-30,26(33)28-2)19-22-8-6-11-24(18-22)23-9-4-3-5-10-23/h3-6,8-12,15,18H,7,13-14,16-17,19-20H2,1-2H3,(H,28,33)/t27-/m1/s1
InChIKeyFAKHSAOFKJJWNH-HHHXNRCGSA-N
MW444.58 g/mol
LogP3.85
Rot. Bonds7

About (3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide

(3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 95851003) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is (3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
PubChem CID95851003
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name(3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CCn2nccc2C)C1
InChIInChI=1S/C27H32N4O2/c1-21-12-15-29-31(21)17-13-25(32)30-16-7-14-27(20-30,26(33)28-2)19-22-8-6-11-24(18-22)23-9-4-3-5-10-23/h3-6,8-12,15,18H,7,13-14,16-17,19-20H2,1-2H3,(H,28,33)/t27-/m1/s1
InChIKeyFAKHSAOFKJJWNH-HHHXNRCGSA-N
XLogP3.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995
3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 110232839
(3R)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 92562726
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231154
(3R)-N-methyl-1-(3-phenylpropanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609385
N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110232458
N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243848
(3R)-1-butanoyl-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586394
1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229743
ethyl (3R)-3-[(4-fluorophenyl)methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxylate
CID 42463422
3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110232823
1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 110243852

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide (CID 95851003) is (3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CCn2nccc2C)C1.
What is the InChIKey of (3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is FAKHSAOFKJJWNH-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-21-12-15-29-31(21)17-13-25(32)30-16-7-14-27(20-30,26(33)28-2)19-22-8-6-11-24(18-22)23-9-4-3-5-10-23/h3-6,8-12,15,18H,7,13-14,16-17,19-20H2,1-2H3,(H,28,33)/t27-/m1/s1.
What are the key properties of (3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide?
(3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95851003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).