5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one

C15H21ClN2O — CID 82193409

IUPAC5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
SMILESCCCCN1C(=O)CCC(N)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-2-3-10-18-14(19)9-8-13(17)15(18)11-4-6-12(16)7-5-11/h4-7,13,15H,2-3,8-10,17H2,1H3
InChIKeySGJONANBVYGRCU-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.13
Rot. Bonds4

About 5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one

5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one (PubChem CID 82193409) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
PubChem CID82193409
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
SMILESCCCCN1C(=O)CCC(N)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-2-3-10-18-14(19)9-8-13(17)15(18)11-4-6-12(16)7-5-11/h4-7,13,15H,2-3,8-10,17H2,1H3
InChIKeySGJONANBVYGRCU-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one?
The IUPAC name of 5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one (CID 82193409) is 5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one.
What is the SMILES notation for 5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one?
The canonical SMILES for 5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one is CCCCN1C(=O)CCC(N)C1c1ccc(Cl)cc1.
What is the InChIKey of 5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one?
The InChIKey is SGJONANBVYGRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-3-10-18-14(19)9-8-13(17)15(18)11-4-6-12(16)7-5-11/h4-7,13,15H,2-3,8-10,17H2,1H3.
What are the key properties of 5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one?
5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one has a molecular weight of 280.80 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one is sourced from PubChem (CID 82193409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).