4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride

C19H30ClN3O2 — CID 119436878

IUPAC4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCCCC2C(C)N)cc1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-4-21(5-2)18(23)15-9-11-16(12-10-15)19(24)22-13-7-6-8-17(22)14(3)20;/h9-12,14,17H,4-8,13,20H2,1-3H3;1H
InChIKeyVLOUIFVOKDGNQD-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.93
Rot. Bonds5

About 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride

4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride (PubChem CID 119436878) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
PubChem CID119436878
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCCCC2C(C)N)cc1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-4-21(5-2)18(23)15-9-11-16(12-10-15)19(24)22-13-7-6-8-17(22)14(3)20;/h9-12,14,17H,4-8,13,20H2,1-3H3;1H
InChIKeyVLOUIFVOKDGNQD-UHFFFAOYSA-N
XLogP2.93
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124689263
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide;hydrochloride
CID 119437192
[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119436639
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone
CID 119436014
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 119434986
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 124569378
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119436332
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 119436705
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride (CID 119436878) is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccc(C(=O)N2CCCCC2C(C)N)cc1.Cl.
What is the InChIKey of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride?
The InChIKey is VLOUIFVOKDGNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-4-21(5-2)18(23)15-9-11-16(12-10-15)19(24)22-13-7-6-8-17(22)14(3)20;/h9-12,14,17H,4-8,13,20H2,1-3H3;1H.
What are the key properties of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride?
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 119436878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).