1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride

C17H24ClN3O3 — CID 119479334

IUPAC1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(=O)c1ccc(C(=O)N2CCCC(C(=O)NCCN)C2)cc1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-12(21)13-4-6-14(7-5-13)17(23)20-10-2-3-15(11-20)16(22)19-9-8-18;/h4-7,15H,2-3,8-11,18H2,1H3,(H,19,22);1H
InChIKeyZKPCCNBUCGKIOK-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.24
Rot. Bonds5

About 1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride

1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119479334) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119479334
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(=O)c1ccc(C(=O)N2CCCC(C(=O)NCCN)C2)cc1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-12(21)13-4-6-14(7-5-13)17(23)20-10-2-3-15(11-20)16(22)19-9-8-18;/h4-7,15H,2-3,8-11,18H2,1H3,(H,19,22);1H
InChIKeyZKPCCNBUCGKIOK-UHFFFAOYSA-N
XLogP1.24
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575
N-(2-aminoethyl)-1-[4-(trifluoromethylsulfanyl)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481003
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481027
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564
N-(2-aminoethyl)-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119480778
N-(2-aminoethyl)-1-(4-bromo-3-fluorobenzoyl)piperidine-3-carboxamide
CID 119385141
N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 119479459

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride (CID 119479334) is 1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride is CC(=O)c1ccc(C(=O)N2CCCC(C(=O)NCCN)C2)cc1.Cl.
What is the InChIKey of 1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is ZKPCCNBUCGKIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-12(21)13-4-6-14(7-5-13)17(23)20-10-2-3-15(11-20)16(22)19-9-8-18;/h4-7,15H,2-3,8-11,18H2,1H3,(H,19,22);1H.
What are the key properties of 1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride?
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119479334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).