1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride

C19H29ClN4O2 — CID 119447778

IUPAC1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N4O2.ClH/c24-18(21-10-15-22-13-8-20-9-14-22)16-6-11-23(12-7-16)19(25)17-4-2-1-3-5-17;/h1-5,16,20H,6-15H2,(H,21,24);1H
InChIKeyRHVZSQNCYKYRHN-UHFFFAOYSA-N
MW380.92 g/mol
LogP0.98
Rot. Bonds5

About 1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride

1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119447778) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119447778
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N4O2.ClH/c24-18(21-10-15-22-13-8-20-9-14-22)16-6-11-23(12-7-16)19(25)17-4-2-1-3-5-17;/h1-5,16,20H,6-15H2,(H,21,24);1H
InChIKeyRHVZSQNCYKYRHN-UHFFFAOYSA-N
XLogP0.98
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 154800157
1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119444991
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
1-benzoyl-4-oxo-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,5-diazacycloundecane-8-carboxamide
CID 110200079
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
1-benzoyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110200078
1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
CID 21030345
5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110854
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
1-benzoyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110200013

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride (CID 119447778) is 1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is RHVZSQNCYKYRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c24-18(21-10-15-22-13-8-20-9-14-22)16-6-11-23(12-7-16)19(25)17-4-2-1-3-5-17;/h1-5,16,20H,6-15H2,(H,21,24);1H.
What are the key properties of 1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride?
1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119447778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).