1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide

C23H28ClN3O2 — CID 72703425

IUPAC1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C23H28ClN3O2/c1-16(2)25-22(28)19-10-12-27(13-11-19)15-17-4-3-5-21(14-17)26-23(29)18-6-8-20(24)9-7-18/h3-9,14,16,19H,10-13,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyGKCFGLBUEJGUOQ-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.33
Rot. Bonds6

About 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72703425) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID72703425
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C23H28ClN3O2/c1-16(2)25-22(28)19-10-12-27(13-11-19)15-17-4-3-5-21(14-17)26-23(29)18-6-8-20(24)9-7-18/h3-9,14,16,19H,10-13,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyGKCFGLBUEJGUOQ-UHFFFAOYSA-N
XLogP4.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 72703425) is 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is GKCFGLBUEJGUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-16(2)25-22(28)19-10-12-27(13-11-19)15-17-4-3-5-21(14-17)26-23(29)18-6-8-20(24)9-7-18/h3-9,14,16,19H,10-13,15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72703425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).