1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide

C26H32N4O2 — CID 110232506

IUPAC1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1c(CN2CCCC(Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c(C)nn1C
InChIInChI=1S/C26H32N4O2/c1-19-23(24(32-3)29(2)28-19)17-30-15-7-14-26(18-30,25(27)31)16-20-10-12-22(13-11-20)21-8-5-4-6-9-21/h4-6,8-13H,7,14-18H2,1-3H3,(H2,27,31)
InChIKeyWONMOBFJAGAMQU-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.71
Rot. Bonds7

About 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide

1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232506) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110232506
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1c(CN2CCCC(Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c(C)nn1C
InChIInChI=1S/C26H32N4O2/c1-19-23(24(32-3)29(2)28-19)17-30-15-7-14-26(18-30,25(27)31)16-20-10-12-22(13-11-20)21-8-5-4-6-9-21/h4-6,8-13H,7,14-18H2,1-3H3,(H2,27,31)
InChIKeyWONMOBFJAGAMQU-UHFFFAOYSA-N
XLogP3.71
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231308
1-[(3,5-dimethoxyphenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232347
1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232340
ethyl (3S)-3-benzyl-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carboxylate
CID 26411319
ethyl (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42311023
(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 92595276
3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 65068542
ethyl (3R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 25453470
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232730
(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92558246
(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92589298
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141119

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide (CID 110232506) is 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide is COc1c(CN2CCCC(Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c(C)nn1C.
What is the InChIKey of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WONMOBFJAGAMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19-23(24(32-3)29(2)28-19)17-30-15-7-14-26(18-30,25(27)31)16-20-10-12-22(13-11-20)21-8-5-4-6-9-21/h4-6,8-13H,7,14-18H2,1-3H3,(H2,27,31).
What are the key properties of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).