3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride

C18H28ClN3O2 — CID 119596828

IUPAC3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride
SMILESCCN(C)C(=O)c1cccc(C(=O)N2CCCC(C(C)N)C2)c1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-4-20(3)17(22)14-7-5-8-15(11-14)18(23)21-10-6-9-16(12-21)13(2)19;/h5,7-8,11,13,16H,4,6,9-10,12,19H2,1-3H3;1H
InChIKeyZNSORNOVGRDBMB-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.40
Rot. Bonds4

About 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride

3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride (PubChem CID 119596828) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride
PubChem CID119596828
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride
SMILESCCN(C)C(=O)c1cccc(C(=O)N2CCCC(C(C)N)C2)c1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-4-20(3)17(22)14-7-5-8-15(11-14)18(23)21-10-6-9-16(12-21)13(2)19;/h5,7-8,11,13,16H,4,6,9-10,12,19H2,1-3H3;1H
InChIKeyZNSORNOVGRDBMB-UHFFFAOYSA-N
XLogP2.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride
CID 119634691
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 124686638
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119594746
1-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 119594404
[3-(1-aminoethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119595891
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 124689004
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(benzenesulfonylmethyl)phenyl]methanone
CID 124690886
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
[3-(1-aminoethyl)piperidin-1-yl]-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]methanone;hydrochloride
CID 119596315
[3-(1-aminoethyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 119593899

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride?
The IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride (CID 119596828) is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride?
The canonical SMILES for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride is CCN(C)C(=O)c1cccc(C(=O)N2CCCC(C(C)N)C2)c1.Cl.
What is the InChIKey of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride?
The InChIKey is ZNSORNOVGRDBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-4-20(3)17(22)14-7-5-8-15(11-14)18(23)21-10-6-9-16(12-21)13(2)19;/h5,7-8,11,13,16H,4,6,9-10,12,19H2,1-3H3;1H.
What are the key properties of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride?
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119596828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).