N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide

C15H20Cl2N2O — CID 119308681

IUPACN-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)C1CCCCN1
InChIInChI=1S/C15H20Cl2N2O/c1-10(8-11-5-6-12(16)9-13(11)17)19-15(20)14-4-2-3-7-18-14/h5-6,9-10,14,18H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyPCVAWNXQTVCJCK-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.18
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide

N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide (PubChem CID 119308681) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
PubChem CID119308681
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)C1CCCCN1
InChIInChI=1S/C15H20Cl2N2O/c1-10(8-11-5-6-12(16)9-13(11)17)19-15(20)14-4-2-3-7-18-14/h5-6,9-10,14,18H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyPCVAWNXQTVCJCK-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119321004
N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119341100
N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119341127
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
(2R)-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 103808999
N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119298778
N-[(1R)-1-(3-chlorophenyl)ethyl]azepane-2-carboxamide
CID 81371968
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 119319806
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93369186
(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide (CID 119308681) is N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide is CC(Cc1ccc(Cl)cc1Cl)NC(=O)C1CCCCN1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide?
The InChIKey is PCVAWNXQTVCJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(8-11-5-6-12(16)9-13(11)17)19-15(20)14-4-2-3-7-18-14/h5-6,9-10,14,18H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide?
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 119308681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).