N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide

C31H35FN4O2 — CID 46069404

IUPACN-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(C(=O)N3CCN(c4ccccc4F)CC3)CC(c3ccccc3)C2)cc1C
InChIInChI=1S/C31H35FN4O2/c1-22-12-13-27(18-23(22)2)33-31(38)36-20-25(24-8-4-3-5-9-24)19-26(21-36)30(37)35-16-14-34(15-17-35)29-11-7-6-10-28(29)32/h3-13,18,25-26H,14-17,19-21H2,1-2H3,(H,33,38)
InChIKeyPMQCRTQIXWRNFT-UHFFFAOYSA-N
MW514.65 g/mol
LogP5.43
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide

N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide (PubChem CID 46069404) has the molecular formula C31H35FN4O2 and a molecular weight of 514.65 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide
PubChem CID46069404
Molecular FormulaC31H35FN4O2
Molecular Weight514.65 g/mol
Exact Mass514.27
IUPAC NameN-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(C(=O)N3CCN(c4ccccc4F)CC3)CC(c3ccccc3)C2)cc1C
InChIInChI=1S/C31H35FN4O2/c1-22-12-13-27(18-23(22)2)33-31(38)36-20-25(24-8-4-3-5-9-24)19-26(21-36)30(37)35-16-14-34(15-17-35)29-11-7-6-10-28(29)32/h3-13,18,25-26H,14-17,19-21H2,1-2H3,(H,33,38)
InChIKeyPMQCRTQIXWRNFT-UHFFFAOYSA-N
XLogP5.43
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide
CID 46069411
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152605
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113111714
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 42865473
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 8967746
4-(2-hydroxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 86988121
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
4-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111667
N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 154860890

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide (CID 46069404) is N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide is Cc1ccc(NC(=O)N2CC(C(=O)N3CCN(c4ccccc4F)CC3)CC(c3ccccc3)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide?
The InChIKey is PMQCRTQIXWRNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN4O2/c1-22-12-13-27(18-23(22)2)33-31(38)36-20-25(24-8-4-3-5-9-24)19-26(21-36)30(37)35-16-14-34(15-17-35)29-11-7-6-10-28(29)32/h3-13,18,25-26H,14-17,19-21H2,1-2H3,(H,33,38).
What are the key properties of N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide?
N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide has a molecular weight of 514.65 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46069404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).