1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one

C16H20ClNO2 — CID 106861332

IUPAC1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C16H20ClNO2/c1-11-6-7-14(15(17)9-11)16(20)18-8-4-3-5-13(18)10-12(2)19/h6-7,9,13H,3-5,8,10H2,1-2H3
InChIKeyCSJUXKXFZKSINO-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.62
Rot. Bonds3

About 1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one

1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one (PubChem CID 106861332) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one
PubChem CID106861332
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C16H20ClNO2/c1-11-6-7-14(15(17)9-11)16(20)18-8-4-3-5-13(18)10-12(2)19/h6-7,9,13H,3-5,8,10H2,1-2H3
InChIKeyCSJUXKXFZKSINO-UHFFFAOYSA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-bromo-5-methylbenzoyl)azepan-2-yl]propan-2-one
CID 81109449
1-[1-(4-chloro-2,5-difluorobenzoyl)piperidin-2-yl]propan-2-one
CID 82772459
1-[1-(5-bromo-2-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79548881
1-[1-(5-chloro-2-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540783
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
1-[1-(4-bromo-2-methylbenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541105
1-[1-(4-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one
CID 79549165
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 61011217
1-[1-(4-bromo-2-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79541551
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 79549622

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one (CID 106861332) is 1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one?
The InChIKey is CSJUXKXFZKSINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-11-6-7-14(15(17)9-11)16(20)18-8-4-3-5-13(18)10-12(2)19/h6-7,9,13H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one?
1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one has a molecular weight of 293.79 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 106861332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).