N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide

C15H21ClN2O — CID 59001093

IUPACN-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)12-6-8-18(9-7-12)15(19)17-14-5-3-4-13(16)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,17,19)
InChIKeyKVIACWVKXONMFI-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.24
Rot. Bonds2

About N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide

N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 59001093) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID59001093
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)12-6-8-18(9-7-12)15(19)17-14-5-3-4-13(16)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,17,19)
InChIKeyKVIACWVKXONMFI-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
N-(3-chlorophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 110019344
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 93221455
4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 46020584
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
CID 23139916
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide (CID 59001093) is N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide is CC(C)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is KVIACWVKXONMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(2)12-6-8-18(9-7-12)15(19)17-14-5-3-4-13(16)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,17,19).
What are the key properties of N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide?
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 59001093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).