N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide

C24H22F3N3O2 — CID 3805914

IUPACN-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide
SMILESO=C(NC1(C(=O)NCc2ccc(F)cc2F)CCNCC1)c1ccc(F)c2ccccc12
InChIInChI=1S/C24H22F3N3O2/c25-16-6-5-15(21(27)13-16)14-29-23(32)24(9-11-28-12-10-24)30-22(31)19-7-8-20(26)18-4-2-1-3-17(18)19/h1-8,13,28H,9-12,14H2,(H,29,32)(H,30,31)
InChIKeyHUAWQXYDRYOITN-UHFFFAOYSA-N
MW441.45 g/mol
LogP3.43
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide (PubChem CID 3805914) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide
PubChem CID3805914
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide
SMILESO=C(NC1(C(=O)NCc2ccc(F)cc2F)CCNCC1)c1ccc(F)c2ccccc12
InChIInChI=1S/C24H22F3N3O2/c25-16-6-5-15(21(27)13-16)14-29-23(32)24(9-11-28-12-10-24)30-22(31)19-7-8-20(26)18-4-2-1-3-17(18)19/h1-8,13,28H,9-12,14H2,(H,29,32)(H,30,31)
InChIKeyHUAWQXYDRYOITN-UHFFFAOYSA-N
XLogP3.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-N-[4-[(2,4-difluorophenyl)methylcarbamoyl]piperidin-4-yl]-1,2-thiazole-3-carboxamide
CID 23761712
N-[(2,4-difluorophenyl)methyl]-4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]piperidine-4-carboxamide
CID 23850406
N-[(2,4-difluorophenyl)methyl]-4-[3-(4-fluorophenyl)sulfanylpropanoylamino]piperidine-4-carboxamide
CID 23795605
4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[(2,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 74227983
N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166503
N-[(2,4-difluorophenyl)methyl]-4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]piperidine-4-carboxamide
CID 23851701
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide
CID 71585999
N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide
CID 166209181
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide
CID 3737646
2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567147

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide (CID 3805914) is N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide is O=C(NC1(C(=O)NCc2ccc(F)cc2F)CCNCC1)c1ccc(F)c2ccccc12.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide?
The InChIKey is HUAWQXYDRYOITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c25-16-6-5-15(21(27)13-16)14-29-23(32)24(9-11-28-12-10-24)30-22(31)19-7-8-20(26)18-4-2-1-3-17(18)19/h1-8,13,28H,9-12,14H2,(H,29,32)(H,30,31).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 3805914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).