4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride

C17H26ClN3O2 — CID 119380611

IUPAC4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-19(4-2)16(21)13-7-9-14(10-8-13)17(22)20-11-5-6-15(18)12-20;/h7-10,15H,3-6,11-12,18H2,1-2H3;1H
InChIKeyLJCIQCQYZSFMPA-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.15
Rot. Bonds4

About 4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride

4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride (PubChem CID 119380611) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
PubChem CID119380611
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-19(4-2)16(21)13-7-9-14(10-8-13)17(22)20-11-5-6-15(18)12-20;/h7-10,15H,3-6,11-12,18H2,1-2H3;1H
InChIKeyLJCIQCQYZSFMPA-UHFFFAOYSA-N
XLogP2.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575
(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
CID 119381942
4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119377266
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
(3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride
CID 119380613
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide
CID 109046463
[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119409534
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride (CID 119380611) is 4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccc(C(=O)N2CCCC(N)C2)cc1.Cl.
What is the InChIKey of 4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride?
The InChIKey is LJCIQCQYZSFMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-3-19(4-2)16(21)13-7-9-14(10-8-13)17(22)20-11-5-6-15(18)12-20;/h7-10,15H,3-6,11-12,18H2,1-2H3;1H.
What are the key properties of 4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride?
4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 119380611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).