3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride

C15H22ClN3O2 — CID 119945100

IUPAC3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride
SMILESCl.NC(=O)CCC1CCCN(C(=O)c2ccccc2N)C1
InChIInChI=1S/C15H21N3O2.ClH/c16-13-6-2-1-5-12(13)15(20)18-9-3-4-11(10-18)7-8-14(17)19;/h1-2,5-6,11H,3-4,7-10,16H2,(H2,17,19);1H
InChIKeyGVGFXVVEFZGLCD-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.81
Rot. Bonds4

About 3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride

3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride (PubChem CID 119945100) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride
PubChem CID119945100
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride
SMILESCl.NC(=O)CCC1CCCN(C(=O)c2ccccc2N)C1
InChIInChI=1S/C15H21N3O2.ClH/c16-13-6-2-1-5-12(13)15(20)18-9-3-4-11(10-18)7-8-14(17)19;/h1-2,5-6,11H,3-4,7-10,16H2,(H2,17,19);1H
InChIKeyGVGFXVVEFZGLCD-UHFFFAOYSA-N
XLogP1.81
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-aminobenzoyl)piperidin-3-yl]acetic acid
CID 55105002
3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide
CID 95700358
3-[(3S)-1-(5-chloro-2-iodobenzoyl)piperidin-3-yl]propanamide
CID 52877022
(2-aminophenyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119947355
3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
CID 119308870
3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride
CID 119758309
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107229128
(2-aminophenyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119946751
[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone
CID 28766858
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-amino-5-chlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209681

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride?
The IUPAC name of 3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride (CID 119945100) is 3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride?
The canonical SMILES for 3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride is Cl.NC(=O)CCC1CCCN(C(=O)c2ccccc2N)C1.
What is the InChIKey of 3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride?
The InChIKey is GVGFXVVEFZGLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c16-13-6-2-1-5-12(13)15(20)18-9-3-4-11(10-18)7-8-14(17)19;/h1-2,5-6,11H,3-4,7-10,16H2,(H2,17,19);1H.
What are the key properties of 3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride?
3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 119945100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).