3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride

C15H22ClN3O2 — CID 119595557

IUPAC3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2cccc(C(N)=O)c2)C1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10(16)13-6-3-7-18(9-13)15(20)12-5-2-4-11(8-12)14(17)19;/h2,4-5,8,10,13H,3,6-7,9,16H2,1H3,(H2,17,19);1H
InChIKeyZKDZJTGBCQYEIH-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.41
Rot. Bonds3

About 3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride

3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride (PubChem CID 119595557) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
PubChem CID119595557
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2cccc(C(N)=O)c2)C1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10(16)13-6-3-7-18(9-13)15(20)12-5-2-4-11(8-12)14(17)19;/h2,4-5,8,10,13H,3,6-7,9,16H2,1H3,(H2,17,19);1H
InChIKeyZKDZJTGBCQYEIH-UHFFFAOYSA-N
XLogP1.41
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride
CID 119596828
1-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 119594404
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 124689004
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 124686638
[3-(1-aminoethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119595891
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
[3-(1-aminoethyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 119593899
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
[3-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119596663
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 124592426
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
CID 124690900
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
CID 119592633

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride?
The IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride (CID 119595557) is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride?
The canonical SMILES for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride is CC(N)C1CCCN(C(=O)c2cccc(C(N)=O)c2)C1.Cl.
What is the InChIKey of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride?
The InChIKey is ZKDZJTGBCQYEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-10(16)13-6-3-7-18(9-13)15(20)12-5-2-4-11(8-12)14(17)19;/h2,4-5,8,10,13H,3,6-7,9,16H2,1H3,(H2,17,19);1H.
What are the key properties of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride?
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride is sourced from PubChem (CID 119595557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).