(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide

C27H32N4O2 — CID 95851205

IUPAC(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2cccc(C[C@]3(C(N)=O)CCCN(C(=O)Cc4c(C)n[nH]c4C)C3)c2)c1
InChIInChI=1S/C27H32N4O2/c1-18-7-4-9-22(13-18)23-10-5-8-21(14-23)16-27(26(28)33)11-6-12-31(17-27)25(32)15-24-19(2)29-30-20(24)3/h4-5,7-10,13-14H,6,11-12,15-17H2,1-3H3,(H2,28,33)(H,29,30)/t27-/m1/s1
InChIKeyCYBZBYMPKHEGBX-HHHXNRCGSA-N
MW444.58 g/mol
LogP3.88
Rot. Bonds6

About (3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide

(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 95851205) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is (3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID95851205
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2cccc(C[C@]3(C(N)=O)CCCN(C(=O)Cc4c(C)n[nH]c4C)C3)c2)c1
InChIInChI=1S/C27H32N4O2/c1-18-7-4-9-22(13-18)23-10-5-8-21(14-23)16-27(26(28)33)11-6-12-31(17-27)25(32)15-24-19(2)29-30-20(24)3/h4-5,7-10,13-14H,6,11-12,15-17H2,1-3H3,(H2,28,33)(H,29,30)/t27-/m1/s1
InChIKeyCYBZBYMPKHEGBX-HHHXNRCGSA-N
XLogP3.88
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 72926896
1-(2-acetamidoacetyl)-N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110243960
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
3-[[3-(3-methylphenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide
CID 110243966
1-[2-(3-methylphenyl)acetyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805777
(3R)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569670
(3S)-1-(2-pyridin-3-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569671
(3S)-1-butanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586379
(3S)-N,N-dimethyl-1-(2-phenylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604924
(3R)-1-(2-methoxyacetyl)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851011
1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110232836

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide (CID 95851205) is (3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide is Cc1cccc(-c2cccc(C[C@]3(C(N)=O)CCCN(C(=O)Cc4c(C)n[nH]c4C)C3)c2)c1.
What is the InChIKey of (3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is CYBZBYMPKHEGBX-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-18-7-4-9-22(13-18)23-10-5-8-21(14-23)16-27(26(28)33)11-6-12-31(17-27)25(32)15-24-19(2)29-30-20(24)3/h4-5,7-10,13-14H,6,11-12,15-17H2,1-3H3,(H2,28,33)(H,29,30)/t27-/m1/s1.
What are the key properties of (3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95851205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).