[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

C19H25ClN2O — CID 119638687

IUPAC[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESO=C(N1CCC2CCC(C1)N2)C1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C19H25ClN2O/c20-15-5-3-4-14(12-15)19(9-1-2-10-19)18(23)22-11-8-16-6-7-17(13-22)21-16/h3-5,12,16-17,21H,1-2,6-11,13H2
InChIKeyIVBZLDAQKJUVJK-UHFFFAOYSA-N
MW332.87 g/mol
LogP3.50
Rot. Bonds2

About [1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 119638687) has the molecular formula C19H25ClN2O and a molecular weight of 332.87 g/mol. Its IUPAC name is [1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID119638687
Molecular FormulaC19H25ClN2O
Molecular Weight332.87 g/mol
Exact Mass332.17
IUPAC Name[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESO=C(N1CCC2CCC(C1)N2)C1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C19H25ClN2O/c20-15-5-3-4-14(12-15)19(9-1-2-10-19)18(23)22-11-8-16-6-7-17(13-22)21-16/h3-5,12,16-17,21H,1-2,6-11,13H2
InChIKeyIVBZLDAQKJUVJK-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.87
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-chlorophenyl)oxan-4-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638947
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone
CID 119635799
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
[1-(4-chlorophenyl)cyclopropyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119636111
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone
CID 119486633
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167682
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 119596142
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119483410
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119635994

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 119638687) is [1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is O=C(N1CCC2CCC(C1)N2)C1(c2cccc(Cl)c2)CCCC1.
What is the InChIKey of [1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is IVBZLDAQKJUVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c20-15-5-3-4-14(12-15)19(9-1-2-10-19)18(23)22-11-8-16-6-7-17(13-22)21-16/h3-5,12,16-17,21H,1-2,6-11,13H2.
What are the key properties of [1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone has a molecular weight of 332.87 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 119638687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).