(3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone

C19H27NO — CID 79057457

IUPAC(3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
SMILESCc1cc(C)cc(C(=O)C2(N3CCCCC3)CCCC2)c1
InChIInChI=1S/C19H27NO/c1-15-12-16(2)14-17(13-15)18(21)19(8-4-5-9-19)20-10-6-3-7-11-20/h12-14H,3-11H2,1-2H3
InChIKeyKJLHHUVNWYERNQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.28
Rot. Bonds3

About (3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone

(3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone (PubChem CID 79057457) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
PubChem CID79057457
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
SMILESCc1cc(C)cc(C(=O)C2(N3CCCCC3)CCCC2)c1
InChIInChI=1S/C19H27NO/c1-15-12-16(2)14-17(13-15)18(21)19(8-4-5-9-19)20-10-6-3-7-11-20/h12-14H,3-11H2,1-2H3
InChIKeyKJLHHUVNWYERNQ-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone (CID 79057457) is (3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone is Cc1cc(C)cc(C(=O)C2(N3CCCCC3)CCCC2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone?
The InChIKey is KJLHHUVNWYERNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-15-12-16(2)14-17(13-15)18(21)19(8-4-5-9-19)20-10-6-3-7-11-20/h12-14H,3-11H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone?
(3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone has a molecular weight of 285.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 79057457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).