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

C17H22ClNO — CID 977552

IUPAC[1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H22ClNO/c18-15-8-6-14(7-9-15)17(10-2-3-11-17)16(20)19-12-4-1-5-13-19/h6-9H,1-5,10-13H2
InChIKeyBVTPRSLXHJQMMI-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.16
Rot. Bonds2

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

[1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone (PubChem CID 977552) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone
PubChem CID977552
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H22ClNO/c18-15-8-6-14(7-9-15)17(10-2-3-11-17)16(20)19-12-4-1-5-13-19/h6-9H,1-5,10-13H2
InChIKeyBVTPRSLXHJQMMI-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone (CID 977552) is [1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone?
The InChIKey is BVTPRSLXHJQMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-15-8-6-14(7-9-15)17(10-2-3-11-17)16(20)19-12-4-1-5-13-19/h6-9H,1-5,10-13H2.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone?
[1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone has a molecular weight of 291.82 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 977552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).