(2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone

C16H17ClN2O — CID 2822453

IUPAC(2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCC(n2cccc2)CC1
InChIInChI=1S/C16H17ClN2O/c17-15-6-2-1-5-14(15)16(20)19-11-7-13(8-12-19)18-9-3-4-10-18/h1-6,9-10,13H,7-8,11-12H2
InChIKeyGFMSOBROAIFTBQ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.62
Rot. Bonds2

About (2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone

(2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone (PubChem CID 2822453) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
PubChem CID2822453
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name(2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCC(n2cccc2)CC1
InChIInChI=1S/C16H17ClN2O/c17-15-6-2-1-5-14(15)16(20)19-11-7-13(8-12-19)18-9-3-4-10-18/h1-6,9-10,13H,7-8,11-12H2
InChIKeyGFMSOBROAIFTBQ-UHFFFAOYSA-N
XLogP3.62
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzamide, 2-chloro-N-4-pyridinyl-
CID 5121684
1-[(2-Chlorophenyl)methyl]pyrrole-2-carboxamide
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CID 587129
2,6-dichloro-N-(pyridin-4-yl)benzamide
CID 3120536
2-chloro-N-(pyridin-2-ylmethyl)benzamide
CID 668839
N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 790421
N-(2-chlorobenzyl)isonicotinamide
CID 882114
2-chloro-4-methyl-N-(pyridin-4-yl)benzamide
CID 885964
piperidino[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472874
6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 2566057
N-Benzyl-6-chloro-nicotinamide
CID 857488
N3-Benzyl-2-chloronicotinamide
CID 2794855

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone (CID 2822453) is (2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone is O=C(c1ccccc1Cl)N1CCC(n2cccc2)CC1.
What is the InChIKey of (2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
The InChIKey is GFMSOBROAIFTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-15-6-2-1-5-14(15)16(20)19-11-7-13(8-12-19)18-9-3-4-10-18/h1-6,9-10,13H,7-8,11-12H2.
What are the key properties of (2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone?
(2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone has a molecular weight of 288.78 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 2822453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).