(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide

C27H34N4O2 — CID 92595276

IUPAC(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2C)C1
InChIInChI=1S/C27H34N4O2/c1-20-24(17-29-30(20)3)18-31-15-5-14-27(19-31,26(32)28-2)16-21-6-8-22(9-7-21)23-10-12-25(33-4)13-11-23/h6-13,17H,5,14-16,18-19H2,1-4H3,(H,28,32)/t27-/m1/s1
InChIKeyJCAWNJWNSBCRLR-HHHXNRCGSA-N
MW446.60 g/mol
LogP3.98
Rot. Bonds7

About (3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide

(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 92595276) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is (3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
PubChem CID92595276
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2C)C1
InChIInChI=1S/C27H34N4O2/c1-20-24(17-29-30(20)3)18-31-15-5-14-27(19-31,26(32)28-2)16-21-6-8-22(9-7-21)23-10-12-25(33-4)13-11-23/h6-13,17H,5,14-16,18-19H2,1-4H3,(H,28,32)/t27-/m1/s1
InChIKeyJCAWNJWNSBCRLR-HHHXNRCGSA-N
XLogP3.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231391
(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585094
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585095
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110232563
1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232298
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231308
(3R)-1-[(3-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92610002
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 95851579
(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609608
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609568
(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609565
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 110253470

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide (CID 92595276) is (3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide is CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2C)C1.
What is the InChIKey of (3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is JCAWNJWNSBCRLR-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20-24(17-29-30(20)3)18-31-15-5-14-27(19-31,26(32)28-2)16-21-6-8-22(9-7-21)23-10-12-25(33-4)13-11-23/h6-13,17H,5,14-16,18-19H2,1-4H3,(H,28,32)/t27-/m1/s1.
What are the key properties of (3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide?
(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 92595276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).