2-(4-benzylpiperidin-1-yl)cyclopentan-1-one

C17H23NO — CID 43794813

IUPAC2-(4-benzylpiperidin-1-yl)cyclopentan-1-one
SMILESO=C1CCCC1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H23NO/c19-17-8-4-7-16(17)18-11-9-15(10-12-18)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2
InChIKeyGIXYYVWQXWPQNJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.06
Rot. Bonds3

About 2-(4-benzylpiperidin-1-yl)cyclopentan-1-one

2-(4-benzylpiperidin-1-yl)cyclopentan-1-one (PubChem CID 43794813) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)cyclopentan-1-one
PubChem CID43794813
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(4-benzylpiperidin-1-yl)cyclopentan-1-one
SMILESO=C1CCCC1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H23NO/c19-17-8-4-7-16(17)18-11-9-15(10-12-18)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2
InChIKeyGIXYYVWQXWPQNJ-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 1356764
2-(azetidin-1-yl)cyclohexan-1-one;benzene
CID 156803276
2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one
CID 63009114
3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione
CID 4228098
(3R)-3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 7372056
4-benzylcycloheptan-1-one
CID 57223081
3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 2851208
6-benzylcyclodecan-1-one
CID 22319830
4-(4-benzylpiperidin-1-yl)cyclohexan-1-amine
CID 62806898
2-[4-[3-(4-benzylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43861089
6-benzyl-2,3-dihydroxycyclodecan-1-one
CID 22319895
4-benzyl-1-methylpiperidine;ethane
CID 142009767

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)cyclopentan-1-one?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)cyclopentan-1-one (CID 43794813) is 2-(4-benzylpiperidin-1-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)cyclopentan-1-one?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)cyclopentan-1-one is O=C1CCCC1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)cyclopentan-1-one?
The InChIKey is GIXYYVWQXWPQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17-8-4-7-16(17)18-11-9-15(10-12-18)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2.
What are the key properties of 2-(4-benzylpiperidin-1-yl)cyclopentan-1-one?
2-(4-benzylpiperidin-1-yl)cyclopentan-1-one has a molecular weight of 257.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)cyclopentan-1-one is sourced from PubChem (CID 43794813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).