2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride

C16H22ClN3O2 — CID 119944177

IUPAC2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H21N3O2.ClH/c17-14-4-2-1-3-13(14)15(20)18-12-7-9-19(10-8-12)16(21)11-5-6-11;/h1-4,11-12H,5-10,17H2,(H,18,20);1H
InChIKeyXHMJXVCGVWZXDS-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.82
Rot. Bonds3

About 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride

2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride (PubChem CID 119944177) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
PubChem CID119944177
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H21N3O2.ClH/c17-14-4-2-1-3-13(14)15(20)18-12-7-9-19(10-8-12)16(21)11-5-6-11;/h1-4,11-12H,5-10,17H2,(H,18,20);1H
InChIKeyXHMJXVCGVWZXDS-UHFFFAOYSA-N
XLogP1.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.82
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-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 119945821
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 61213391
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 110871467
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119945642
[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
CID 170325086

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride (CID 119944177) is 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride is Cl.Nc1ccccc1C(=O)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is XHMJXVCGVWZXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c17-14-4-2-1-3-13(14)15(20)18-12-7-9-19(10-8-12)16(21)11-5-6-11;/h1-4,11-12H,5-10,17H2,(H,18,20);1H.
What are the key properties of 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride?
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 119944177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).