1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide

C16H20Cl2N2O2 — CID 113008513

IUPAC1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N2O2/c1-2-3-15(21)20-8-6-11(7-9-20)16(22)19-12-4-5-13(17)14(18)10-12/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,22)
InChIKeyWXJHGTQATQQJRD-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.97
Rot. Bonds4

About 1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide

1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide (PubChem CID 113008513) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
PubChem CID113008513
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N2O2/c1-2-3-15(21)20-8-6-11(7-9-20)16(22)19-12-4-5-13(17)14(18)10-12/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,22)
InChIKeyWXJHGTQATQQJRD-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119798327
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113008520
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 87033981
1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 1003994
1-butanoyl-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide
CID 86834222
4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922996
N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113006432

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide (CID 113008513) is 1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The InChIKey is WXJHGTQATQQJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-2-3-15(21)20-8-6-11(7-9-20)16(22)19-12-4-5-13(17)14(18)10-12/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,22).
What are the key properties of 1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide has a molecular weight of 343.25 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).