N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide

C27H26F3N3O2 — CID 71585999

IUPACN-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NC1CCNCC1C(=O)N(Cc1ccc(F)c2ccccc12)C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C27H26F3N3O2/c28-17-6-9-21(24(30)13-17)26(34)32-25-11-12-31-14-22(25)27(35)33(18-7-8-18)15-16-5-10-23(29)20-4-2-1-3-19(16)20/h1-6,9-10,13,18,22,25,31H,7-8,11-12,14-15H2,(H,32,34)
InChIKeyPNTCOAUOMMLJLO-UHFFFAOYSA-N
MW481.52 g/mol
LogP4.16
Rot. Bonds6

About N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide

N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide (PubChem CID 71585999) has the molecular formula C27H26F3N3O2 and a molecular weight of 481.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide
PubChem CID71585999
Molecular FormulaC27H26F3N3O2
Molecular Weight481.52 g/mol
Exact Mass481.20
IUPAC NameN-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NC1CCNCC1C(=O)N(Cc1ccc(F)c2ccccc12)C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C27H26F3N3O2/c28-17-6-9-21(24(30)13-17)26(34)32-25-11-12-31-14-22(25)27(35)33(18-7-8-18)15-16-5-10-23(29)20-4-2-1-3-19(16)20/h1-6,9-10,13,18,22,25,31H,7-8,11-12,14-15H2,(H,32,34)
InChIKeyPNTCOAUOMMLJLO-UHFFFAOYSA-N
XLogP4.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide (CID 71585999) is N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide is O=C(NC1CCNCC1C(=O)N(Cc1ccc(F)c2ccccc12)C1CC1)c1ccc(F)cc1F.
What is the InChIKey of N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide?
The InChIKey is PNTCOAUOMMLJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O2/c28-17-6-9-21(24(30)13-17)26(34)32-25-11-12-31-14-22(25)27(35)33(18-7-8-18)15-16-5-10-23(29)20-4-2-1-3-19(16)20/h1-6,9-10,13,18,22,25,31H,7-8,11-12,14-15H2,(H,32,34).
What are the key properties of N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide?
N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2,4-difluorobenzoyl)amino]-N-[(4-fluoronaphthalen-1-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 71585999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).