2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone

C16H23ClN2O — CID 79070162

IUPAC2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
SMILESCCN(CC)C1(C(=O)Cc2ccncc2Cl)CCCC1
InChIInChI=1S/C16H23ClN2O/c1-3-19(4-2)16(8-5-6-9-16)15(20)11-13-7-10-18-12-14(13)17/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeyPLRQIBAKIPEHEX-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.50
Rot. Bonds6

About 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone

2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone (PubChem CID 79070162) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
PubChem CID79070162
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
SMILESCCN(CC)C1(C(=O)Cc2ccncc2Cl)CCCC1
InChIInChI=1S/C16H23ClN2O/c1-3-19(4-2)16(8-5-6-9-16)15(20)11-13-7-10-18-12-14(13)17/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeyPLRQIBAKIPEHEX-UHFFFAOYSA-N
XLogP3.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol
CID 79069940
2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450636
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750292
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79059412
1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone
CID 79058681
1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 116579224
2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
CID 79070163
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
1-(3-chloro-4-pyridinyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047726
1-[(3-chloro-4-pyridinyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 113431096
2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone
CID 79070320

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone (CID 79070162) is 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone is CCN(CC)C1(C(=O)Cc2ccncc2Cl)CCCC1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone?
The InChIKey is PLRQIBAKIPEHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-19(4-2)16(8-5-6-9-16)15(20)11-13-7-10-18-12-14(13)17/h7,10,12H,3-6,8-9,11H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone?
2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone has a molecular weight of 294.83 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone is sourced from PubChem (CID 79070162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).