2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone

C17H23ClN2O — CID 116559754

IUPAC2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)C1CCCN1C1CCNCC1
InChIInChI=1S/C17H23ClN2O/c18-15-5-2-1-4-13(15)12-17(21)16-6-3-11-20(16)14-7-9-19-10-8-14/h1-2,4-5,14,16,19H,3,6-12H2
InChIKeyRBKFHDCCBKRIGQ-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.67
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone

2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone (PubChem CID 116559754) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
PubChem CID116559754
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)C1CCCN1C1CCNCC1
InChIInChI=1S/C17H23ClN2O/c18-15-5-2-1-4-13(15)12-17(21)16-6-3-11-20(16)14-7-9-19-10-8-14/h1-2,4-5,14,16,19H,3,6-12H2
InChIKeyRBKFHDCCBKRIGQ-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
CID 116559796
3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one
CID 116559712
2-(3-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
CID 116559759
(2S)-N-[3-(2-chlorophenoxy)propyl]-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 86284149
(3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559770
(2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559771
3-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)butan-1-one
CID 116559668
N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61020001
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
4-methyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)pent-4-en-1-one
CID 114477895

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone (CID 116559754) is 2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone is O=C(Cc1ccccc1Cl)C1CCCN1C1CCNCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
The InChIKey is RBKFHDCCBKRIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-15-5-2-1-4-13(15)12-17(21)16-6-3-11-20(16)14-7-9-19-10-8-14/h1-2,4-5,14,16,19H,3,6-12H2.
What are the key properties of 2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone has a molecular weight of 306.84 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116559754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).