N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide

C25H25FN2O3 — CID 45355215

IUPACN-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(C)c(F)c3)C2)c2ccccc12
InChIInChI=1S/C25H25FN2O3/c1-16-9-10-18(14-22(16)26)27-24(29)17-6-5-13-28(15-17)25(30)21-11-12-23(31-2)20-8-4-3-7-19(20)21/h3-4,7-12,14,17H,5-6,13,15H2,1-2H3,(H,27,29)
InChIKeyPRKXXRWUFLCLIO-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.79
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide

N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 45355215) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID45355215
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(C)c(F)c3)C2)c2ccccc12
InChIInChI=1S/C25H25FN2O3/c1-16-9-10-18(14-22(16)26)27-24(29)17-6-5-13-28(15-17)25(30)21-11-12-23(31-2)20-8-4-3-7-19(20)21/h3-4,7-12,14,17H,5-6,13,15H2,1-2H3,(H,27,29)
InChIKeyPRKXXRWUFLCLIO-UHFFFAOYSA-N
XLogP4.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355150
N-(3,5-difluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 42923438
(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
(3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 97000078
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 112798153
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55956395
(3R)-N-(3-fluoro-4-methylphenyl)-1-[(2S)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]piperidine-3-carboxamide
CID 92896584
(3S)-N-(3-fluoro-4-methylphenyl)-1-[(2S)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]piperidine-3-carboxamide
CID 92896585
1-benzoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 86901250
(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(4-methoxynaphthalene-1-carbonyl)-N-methylpiperidine-3-carboxamide
CID 31564420
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide (CID 45355215) is N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide is COc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(C)c(F)c3)C2)c2ccccc12.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is PRKXXRWUFLCLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-16-9-10-18(14-22(16)26)27-24(29)17-6-5-13-28(15-17)25(30)21-11-12-23(31-2)20-8-4-3-7-19(20)21/h3-4,7-12,14,17H,5-6,13,15H2,1-2H3,(H,27,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 45355215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).