[1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone

C16H20ClNO2 — CID 2201258

IUPAC[1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C16H20ClNO2/c17-14-5-3-13(4-6-14)16(7-1-2-8-16)15(19)18-9-11-20-12-10-18/h3-6H,1-2,7-12H2
InChIKeyQIXVBCQNTCFHEA-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.01
Rot. Bonds2

About [1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone

[1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone (PubChem CID 2201258) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone
PubChem CID2201258
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C16H20ClNO2/c17-14-5-3-13(4-6-14)16(7-1-2-8-16)15(19)18-9-11-20-12-10-18/h3-6H,1-2,7-12H2
InChIKeyQIXVBCQNTCFHEA-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone (CID 2201258) is [1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone?
The InChIKey is QIXVBCQNTCFHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-14-5-3-13(4-6-14)16(7-1-2-8-16)15(19)18-9-11-20-12-10-18/h3-6H,1-2,7-12H2.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone?
[1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone has a molecular weight of 293.79 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2201258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).