4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

C27H27ClFN3O2 — CID 71586674

IUPAC4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCNCC1C(=O)N(Cc1cccc2ccccc12)C1CC1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C27H27ClFN3O2/c28-20-12-19(13-21(29)14-20)26(33)31-25-10-11-30-15-24(25)27(34)32(22-8-9-22)16-18-6-3-5-17-4-1-2-7-23(17)18/h1-7,12-14,22,24-25,30H,8-11,15-16H2,(H,31,33)
InChIKeyQKCZQANATCHOFY-UHFFFAOYSA-N
MW479.98 g/mol
LogP4.53
Rot. Bonds6

About 4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (PubChem CID 71586674) has the molecular formula C27H27ClFN3O2 and a molecular weight of 479.98 g/mol. Its IUPAC name is 4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
PubChem CID71586674
Molecular FormulaC27H27ClFN3O2
Molecular Weight479.98 g/mol
Exact Mass479.18
IUPAC Name4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCNCC1C(=O)N(Cc1cccc2ccccc12)C1CC1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C27H27ClFN3O2/c28-20-12-19(13-21(29)14-20)26(33)31-25-10-11-30-15-24(25)27(34)32(22-8-9-22)16-18-6-3-5-17-4-1-2-7-23(17)18/h1-7,12-14,22,24-25,30H,8-11,15-16H2,(H,31,33)
InChIKeyQKCZQANATCHOFY-UHFFFAOYSA-N
XLogP4.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.98
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 71586480
N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 71586293
N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide
CID 71585999
N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide
CID 67499995
N-cyclopropyl-4-[(3,4-difluorobenzoyl)amino]-N-[[4-[[3-(3-methoxypropoxy)phenyl]methoxy]naphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 71586297
N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 67499994
N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-fluoroanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide
CID 67984427
N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylbenzoyl]amino]-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 57404743
(4S)-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-4-[[2-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoyl]amino]piperidine-3-carboxamide
CID 67505750
N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 115159561
N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide
CID 67984531
3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide
CID 63326352

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide (CID 71586674) is 4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is O=C(NC1CCNCC1C(=O)N(Cc1cccc2ccccc12)C1CC1)c1cc(F)cc(Cl)c1.
What is the InChIKey of 4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
The InChIKey is QKCZQANATCHOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClFN3O2/c28-20-12-19(13-21(29)14-20)26(33)31-25-10-11-30-15-24(25)27(34)32(22-8-9-22)16-18-6-3-5-17-4-1-2-7-23(17)18/h1-7,12-14,22,24-25,30H,8-11,15-16H2,(H,31,33).
What are the key properties of 4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide?
4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide has a molecular weight of 479.98 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-fluorobenzoyl)amino]-N-cyclopropyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71586674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).