1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone

C15H18ClNO2 — CID 110477076

IUPAC1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
SMILESCC(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO2/c1-11(18)13-6-8-17(9-7-13)15(19)10-12-2-4-14(16)5-3-12/h2-5,13H,6-10H2,1H3
InChIKeyMSGKACJYQVGQFE-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.71
Rot. Bonds3

About 1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone

1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone (PubChem CID 110477076) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
PubChem CID110477076
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
SMILESCC(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO2/c1-11(18)13-6-8-17(9-7-13)15(19)10-12-2-4-14(16)5-3-12/h2-5,13H,6-10H2,1H3
InChIKeyMSGKACJYQVGQFE-UHFFFAOYSA-N
XLogP2.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377
2-(4-chlorophenyl)-1-[4-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 110736048
1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006490
1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 113006703
1-[4-(aminooxymethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 39382607
3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62215948
2-(4-chlorophenyl)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 119287935
1-(3-aminopyrrolidin-1-yl)-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119483085
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119934564
2-(4-chlorophenyl)-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]ethanone
CID 99928537

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone (CID 110477076) is 1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone is CC(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone?
The InChIKey is MSGKACJYQVGQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-11(18)13-6-8-17(9-7-13)15(19)10-12-2-4-14(16)5-3-12/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone?
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone has a molecular weight of 279.77 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 110477076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).