N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

C24H22ClFN2O2 — CID 50804204

IUPACN-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C24H22ClFN2O2/c25-19-10-11-22(21(26)14-19)27-24(30)18-8-4-12-28(15-18)23(29)13-17-7-3-6-16-5-1-2-9-20(16)17/h1-3,5-7,9-11,14,18H,4,8,12-13,15H2,(H,27,30)
InChIKeyHFOWYNBSYBEEMI-UHFFFAOYSA-N
MW424.90 g/mol
LogP5.05
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (PubChem CID 50804204) has the molecular formula C24H22ClFN2O2 and a molecular weight of 424.90 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
PubChem CID50804204
Molecular FormulaC24H22ClFN2O2
Molecular Weight424.90 g/mol
Exact Mass424.14
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C24H22ClFN2O2/c25-19-10-11-22(21(26)14-19)27-24(30)18-8-4-12-28(15-18)23(29)13-17-7-3-6-16-5-1-2-9-20(16)17/h1-3,5-7,9-11,14,18H,4,8,12-13,15H2,(H,27,30)
InChIKeyHFOWYNBSYBEEMI-UHFFFAOYSA-N
XLogP5.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.90
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804171
(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082630
N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803992
N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804112
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082707
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
(3R)-N-[(3-bromophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082744
(3S)-1-(2-naphthalen-1-ylacetyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082667
(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (CID 50804204) is N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1F)C1CCCN(C(=O)Cc2cccc3ccccc23)C1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The InChIKey is HFOWYNBSYBEEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O2/c25-19-10-11-22(21(26)14-19)27-24(30)18-8-4-12-28(15-18)23(29)13-17-7-3-6-16-5-1-2-9-20(16)17/h1-3,5-7,9-11,14,18H,4,8,12-13,15H2,(H,27,30).
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide has a molecular weight of 424.90 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 50804204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).