cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone

C18H25NO2 — CID 53323567

IUPACcyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C18H25NO2/c1-21-17-8-4-7-16(13-17)14-9-11-19(12-10-14)18(20)15-5-2-3-6-15/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3
InChIKeyBQPPERJNWGQGCD-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.59
Rot. Bonds3

About cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone

cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 53323567) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID53323567
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Namecyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C18H25NO2/c1-21-17-8-4-7-16(13-17)14-9-11-19(12-10-14)18(20)15-5-2-3-6-15/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3
InChIKeyBQPPERJNWGQGCD-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone (CID 53323567) is cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone is COc1cccc(C2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is BQPPERJNWGQGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-21-17-8-4-7-16(13-17)14-9-11-19(12-10-14)18(20)15-5-2-3-6-15/h4,7-8,13-15H,2-3,5-6,9-12H2,1H3.
What are the key properties of cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 287.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53323567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).