(3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone

C18H25NO — CID 79058233

IUPAC(3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
SMILESCc1cccc(C(=O)C2(N3CCCCC3)CCCC2)c1
InChIInChI=1S/C18H25NO/c1-15-8-7-9-16(14-15)17(20)18(10-3-4-11-18)19-12-5-2-6-13-19/h7-9,14H,2-6,10-13H2,1H3
InChIKeyLQXKECKBDCEYJK-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.98
Rot. Bonds3

About (3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone

(3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone (PubChem CID 79058233) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
PubChem CID79058233
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
SMILESCc1cccc(C(=O)C2(N3CCCCC3)CCCC2)c1
InChIInChI=1S/C18H25NO/c1-15-8-7-9-16(14-15)17(20)18(10-3-4-11-18)19-12-5-2-6-13-19/h7-9,14H,2-6,10-13H2,1H3
InChIKeyLQXKECKBDCEYJK-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057457
(2,4-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057464
2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058182
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
(4-methyl-2-sulfanylphenyl)-(1-piperidin-1-ylcyclohexyl)methanone
CID 174821588
(4-methoxyphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057208
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(1-piperidin-1-ylcyclopentyl)-thiophen-3-ylmethanone
CID 79057980
(1-aminocyclobutyl)-(3-methylphenyl)methanone
CID 116598453
(1-methylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79060407
1-(3-methylbenzoyl)cyclopentane-1-carbonitrile
CID 102358495

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone?
The IUPAC name of (3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone (CID 79058233) is (3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for (3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone?
The canonical SMILES for (3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone is Cc1cccc(C(=O)C2(N3CCCCC3)CCCC2)c1.
What is the InChIKey of (3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone?
The InChIKey is LQXKECKBDCEYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-15-8-7-9-16(14-15)17(20)18(10-3-4-11-18)19-12-5-2-6-13-19/h7-9,14H,2-6,10-13H2,1H3.
What are the key properties of (3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone?
(3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone has a molecular weight of 271.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 79058233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).