1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride

C16H22Cl3N3O2 — CID 119293651

IUPAC1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.NCCCC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N3O2.ClH/c17-11-6-7-13(12(18)10-11)20-16(23)14-4-1-2-9-21(14)15(22)5-3-8-19;/h6-7,10,14H,1-5,8-9,19H2,(H,20,23);1H
InChIKeyRNKAPBQICYUVPD-UHFFFAOYSA-N
MW394.73 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride

1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119293651) has the molecular formula C16H22Cl3N3O2 and a molecular weight of 394.73 g/mol. Its IUPAC name is 1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119293651
Molecular FormulaC16H22Cl3N3O2
Molecular Weight394.73 g/mol
Exact Mass393.08
IUPAC Name1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.NCCCC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N3O2.ClH/c17-11-6-7-13(12(18)10-11)20-16(23)14-4-1-2-9-21(14)15(22)5-3-8-19;/h6-7,10,14H,1-5,8-9,19H2,(H,20,23);1H
InChIKeyRNKAPBQICYUVPD-UHFFFAOYSA-N
XLogP3.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.73
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 120589192
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide;hydrochloride
CID 119731326
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
CID 119731327
N-(2,4-dichlorophenyl)-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxamide
CID 78864906
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293647
N-(2,4-dichlorophenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxamide
CID 78864914
1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 119731279
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906
(2R)-1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 100615611
1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 119034202

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride (CID 119293651) is 1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride is Cl.NCCCC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is RNKAPBQICYUVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2.ClH/c17-11-6-7-13(12(18)10-11)20-16(23)14-4-1-2-9-21(14)15(22)5-3-8-19;/h6-7,10,14H,1-5,8-9,19H2,(H,20,23);1H.
What are the key properties of 1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 394.73 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119293651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).