1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide

C27H33FN4O — CID 110232563

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCc1c(CN2CCCC(Cc3ccc(-c4ccccc4F)cc3)(C(=O)N(C)C)C2)cnn1C
InChIInChI=1S/C27H33FN4O/c1-20-23(17-29-31(20)4)18-32-15-7-14-27(19-32,26(33)30(2)3)16-21-10-12-22(13-11-21)24-8-5-6-9-25(24)28/h5-6,8-13,17H,7,14-16,18-19H2,1-4H3
InChIKeyBCLDOEDWNZBNQU-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.45
Rot. Bonds6

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide

1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 110232563) has the molecular formula C27H33FN4O and a molecular weight of 448.59 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID110232563
Molecular FormulaC27H33FN4O
Molecular Weight448.59 g/mol
Exact Mass448.26
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCc1c(CN2CCCC(Cc3ccc(-c4ccccc4F)cc3)(C(=O)N(C)C)C2)cnn1C
InChIInChI=1S/C27H33FN4O/c1-20-23(17-29-31(20)4)18-32-15-7-14-27(19-32,26(33)30(2)3)16-21-10-12-22(13-11-21)24-8-5-6-9-25(24)28/h5-6,8-13,17H,7,14-16,18-19H2,1-4H3
InChIKeyBCLDOEDWNZBNQU-UHFFFAOYSA-N
XLogP4.45
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605039
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92604986
(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 92595276
1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110082392
4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 155982895
1-[(2-fluorophenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232298
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 110232465
(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92589293
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585108
(3S)-1-[(2-fluorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609596
1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232463
(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92604751

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide (CID 110232563) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide is Cc1c(CN2CCCC(Cc3ccc(-c4ccccc4F)cc3)(C(=O)N(C)C)C2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is BCLDOEDWNZBNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O/c1-20-23(17-29-31(20)4)18-32-15-7-14-27(19-32,26(33)30(2)3)16-21-10-12-22(13-11-21)24-8-5-6-9-25(24)28/h5-6,8-13,17H,7,14-16,18-19H2,1-4H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 110232563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).