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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Related Compounds

Uamc00039
CID 11232124
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744756
6-(4-Chlorophenyl)-5-nitropiperidin-2-one
CID 2731805
1-(4-Chlorobenzoyl)piperazine
CID 4101484
(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
(2S,3S)-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895803
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
CID 11450266
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127

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).