1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride

C16H22Cl3N3O2 — CID 119798327

IUPAC1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(N)CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C16H21Cl2N3O2.ClH/c1-10(19)8-15(22)21-6-4-11(5-7-21)16(23)20-12-2-3-13(17)14(18)9-12;/h2-3,9-11H,4-8,19H2,1H3,(H,20,23);1H
InChIKeyYYPQYHQELRQLKO-UHFFFAOYSA-N
MW394.73 g/mol
LogP3.33
Rot. Bonds4

About 1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride

1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119798327) has the molecular formula C16H22Cl3N3O2 and a molecular weight of 394.73 g/mol. Its IUPAC name is 1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119798327
Molecular FormulaC16H22Cl3N3O2
Molecular Weight394.73 g/mol
Exact Mass393.08
IUPAC Name1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(N)CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C16H21Cl2N3O2.ClH/c1-10(19)8-15(22)21-6-4-11(5-7-21)16(23)20-12-2-3-13(17)14(18)9-12;/h2-3,9-11H,4-8,19H2,1H3,(H,20,23);1H
InChIKeyYYPQYHQELRQLKO-UHFFFAOYSA-N
XLogP3.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.73
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
1-(3-amino-2-methylbutanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120500954
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-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 1003994
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007102
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride (CID 119798327) is 1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride is CC(N)CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1.Cl.
What is the InChIKey of 1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is YYPQYHQELRQLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2.ClH/c1-10(19)8-15(22)21-6-4-11(5-7-21)16(23)20-12-2-3-13(17)14(18)9-12;/h2-3,9-11H,4-8,19H2,1H3,(H,20,23);1H.
What are the key properties of 1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride?
1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 394.73 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutanoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119798327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).