1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride

C17H25ClN4O3 — CID 120604476

IUPAC1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(=O)N1CCCC(C(=O)Nc2ccccc2C(=O)NCCN)C1.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-12(22)21-10-4-5-13(11-21)16(23)20-15-7-3-2-6-14(15)17(24)19-9-8-18;/h2-3,6-7,13H,4-5,8-11,18H2,1H3,(H,19,24)(H,20,23);1H
InChIKeyUYKJCEFXGYIVTD-UHFFFAOYSA-N
MW368.87 g/mol
LogP0.99
Rot. Bonds5

About 1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride

1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 120604476) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID120604476
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC Name1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(=O)N1CCCC(C(=O)Nc2ccccc2C(=O)NCCN)C1.Cl
InChIInChI=1S/C17H24N4O3.ClH/c1-12(22)21-10-4-5-13(11-21)16(23)20-15-7-3-2-6-14(15)17(24)19-9-8-18;/h2-3,6-7,13H,4-5,8-11,18H2,1H3,(H,19,24)(H,20,23);1H
InChIKeyUYKJCEFXGYIVTD-UHFFFAOYSA-N
XLogP0.99
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120603479
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 120603961
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
3-N-[2-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 43022872
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 110686139
N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 132650711
(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 99970188
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120604507
N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
CID 107181192
(3R)-1-(4-chlorobenzoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 39996060
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623
1-ethylsulfonyl-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132660688

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride (CID 120604476) is 1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride is CC(=O)N1CCCC(C(=O)Nc2ccccc2C(=O)NCCN)C1.Cl.
What is the InChIKey of 1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is UYKJCEFXGYIVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.ClH/c1-12(22)21-10-4-5-13(11-21)16(23)20-15-7-3-2-6-14(15)17(24)19-9-8-18;/h2-3,6-7,13H,4-5,8-11,18H2,1H3,(H,19,24)(H,20,23);1H.
What are the key properties of 1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride?
1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120604476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).