1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride

C23H28ClN3O2 — CID 119400053

IUPAC1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride
SMILESCl.O=C(C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1)N1CCNCC1
InChIInChI=1S/C23H27N3O2.ClH/c27-21-12-11-20(23(28)25-15-13-24-14-16-25)22(19-9-5-2-6-10-19)26(21)17-18-7-3-1-4-8-18;/h1-10,20,22,24H,11-17H2;1H
InChIKeyVHVUQQRUWCCEFH-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.02
Rot. Bonds4

About 1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride

1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride (PubChem CID 119400053) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride
PubChem CID119400053
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride
SMILESCl.O=C(C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1)N1CCNCC1
InChIInChI=1S/C23H27N3O2.ClH/c27-21-12-11-20(23(28)25-15-13-24-14-16-25)22(19-9-5-2-6-10-19)26(21)17-18-7-3-1-4-8-18;/h1-10,20,22,24H,11-17H2;1H
InChIKeyVHVUQQRUWCCEFH-UHFFFAOYSA-N
XLogP3.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride?
The IUPAC name of 1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride (CID 119400053) is 1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride.
What is the SMILES notation for 1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride?
The canonical SMILES for 1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride is Cl.O=C(C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride?
The InChIKey is VHVUQQRUWCCEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.ClH/c27-21-12-11-20(23(28)25-15-13-24-14-16-25)22(19-9-5-2-6-10-19)26(21)17-18-7-3-1-4-8-18;/h1-10,20,22,24H,11-17H2;1H.
What are the key properties of 1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride?
1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride has a molecular weight of 413.95 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride is sourced from PubChem (CID 119400053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).