3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one

C15H20ClNO — CID 176632025

IUPAC3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one
SMILESCC(C)(C)C1CCCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C15H20ClNO/c1-15(2,3)11-7-6-10-17(14(11)18)13-9-5-4-8-12(13)16/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyQJQIQAYHHQNVFT-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.13
Rot. Bonds1

About 3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one

3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one (PubChem CID 176632025) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one
PubChem CID176632025
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one
SMILESCC(C)(C)C1CCCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C15H20ClNO/c1-15(2,3)11-7-6-10-17(14(11)18)13-9-5-4-8-12(13)16/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyQJQIQAYHHQNVFT-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
CID 117014113
(3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one
CID 11128620
(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one
CID 97318754
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
1-(2-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-2-one
CID 111113625
(3R)-1-(2-chlorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]piperidin-2-one
CID 124571344
1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one
CID 111113258
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
CID 136527689
N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 24716736
4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340345
1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
CID 119334574
2-(2-chlorophenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944967

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one?
The IUPAC name of 3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one (CID 176632025) is 3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one.
What is the SMILES notation for 3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one?
The canonical SMILES for 3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one is CC(C)(C)C1CCCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one?
The InChIKey is QJQIQAYHHQNVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-15(2,3)11-7-6-10-17(14(11)18)13-9-5-4-8-12(13)16/h4-5,8-9,11H,6-7,10H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one?
3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one has a molecular weight of 265.78 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-chlorophenyl)piperidin-2-one is sourced from PubChem (CID 176632025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).