N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide

C23H27ClN2O2 — CID 17223318

IUPACN-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C23H27ClN2O2/c1-3-16(2)17-8-10-19(11-9-17)25-22(27)18-12-14-26(15-13-18)23(28)20-6-4-5-7-21(20)24/h4-11,16,18H,3,12-15H2,1-2H3,(H,25,27)
InChIKeyLCRNLKLYBFUIIR-UHFFFAOYSA-N
MW398.93 g/mol
LogP5.34
Rot. Bonds5

About N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide

N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide (PubChem CID 17223318) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
PubChem CID17223318
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC NameN-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C23H27ClN2O2/c1-3-16(2)17-8-10-19(11-9-17)25-22(27)18-12-14-26(15-13-18)23(28)20-6-4-5-7-21(20)24/h4-11,16,18H,3,12-15H2,1-2H3,(H,25,27)
InChIKeyLCRNLKLYBFUIIR-UHFFFAOYSA-N
XLogP5.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.93
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 94858106
1-(2-chlorobenzoyl)-N-[4-(dipropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223467
1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223474
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
1-(2-chlorobenzoyl)-N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 17223520
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223515
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 7435408
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510
1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006809

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide (CID 17223318) is N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide is CCC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide?
The InChIKey is LCRNLKLYBFUIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-3-16(2)17-8-10-19(11-9-17)25-22(27)18-12-14-26(15-13-18)23(28)20-6-4-5-7-21(20)24/h4-11,16,18H,3,12-15H2,1-2H3,(H,25,27).
What are the key properties of N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide?
N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17223318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).