N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide

C23H31FN4O2 — CID 171688151

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C1(C)CCCN(C(=O)CCCc2ccc(F)cc2)C1
InChIInChI=1S/C23H31FN4O2/c1-16-20(17(2)27-26-16)14-25-22(30)23(3)12-5-13-28(15-23)21(29)7-4-6-18-8-10-19(24)11-9-18/h8-11H,4-7,12-15H2,1-3H3,(H,25,30)(H,26,27)
InChIKeySNDFBASZACLJLB-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.43
Rot. Bonds7

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide (PubChem CID 171688151) has the molecular formula C23H31FN4O2 and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide
PubChem CID171688151
Molecular FormulaC23H31FN4O2
Molecular Weight414.53 g/mol
Exact Mass414.24
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C1(C)CCCN(C(=O)CCCc2ccc(F)cc2)C1
InChIInChI=1S/C23H31FN4O2/c1-16-20(17(2)27-26-16)14-25-22(30)23(3)12-5-13-28(15-23)21(29)7-4-6-18-8-10-19(24)11-9-18/h8-11H,4-7,12-15H2,1-3H3,(H,25,30)(H,26,27)
InChIKeySNDFBASZACLJLB-UHFFFAOYSA-N
XLogP3.43
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide
CID 110085681
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide
CID 110085703
(3R)-N-[(4-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087491
N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 110249120
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110731059
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117140
(3R)-1-[3-(4-methoxyphenyl)propanoyl]-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087535
N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 53011171
(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 93071246
methyl (3R)-1-[3-(4-fluorophenyl)propanoyl]-3-methylpyrrolidine-3-carboxylate
CID 97022319

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide (CID 171688151) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide is Cc1n[nH]c(C)c1CNC(=O)C1(C)CCCN(C(=O)CCCc2ccc(F)cc2)C1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is SNDFBASZACLJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O2/c1-16-20(17(2)27-26-16)14-25-22(30)23(3)12-5-13-28(15-23)21(29)7-4-6-18-8-10-19(24)11-9-18/h8-11H,4-7,12-15H2,1-3H3,(H,25,30)(H,26,27).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 171688151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).