N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

C24H22F2N2O2 — CID 50804171

IUPACN-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C24H22F2N2O2/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)
InChIKeyKLYKWVUHJMXLIP-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.54
Rot. Bonds4

About N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (PubChem CID 50804171) has the molecular formula C24H22F2N2O2 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
PubChem CID50804171
Molecular FormulaC24H22F2N2O2
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC NameN-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C24H22F2N2O2/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)
InChIKeyKLYKWVUHJMXLIP-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804204
(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082630
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082707
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804112
(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803992
(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
N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803996
N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569045
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (CID 50804171) is N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is O=C(Nc1ccc(F)cc1F)C1CCCN(C(=O)Cc2cccc3ccccc23)C1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The InChIKey is KLYKWVUHJMXLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O2/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-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 50804171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).