bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone

C35H48N2O — CID 73011712

IUPACbis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCCC2)cc1C1CCCC1)c1ccc(CN2CCCCC2)cc1C1CCCC1
InChIInChI=1S/C35H48N2O/c38-35(31-17-15-27(25-36-19-7-1-8-20-36)23-33(31)29-11-3-4-12-29)32-18-16-28(26-37-21-9-2-10-22-37)24-34(32)30-13-5-6-14-30/h15-18,23-24,29-30H,1-14,19-22,25-26H2
InChIKeyKOXMREIQUFFTCP-UHFFFAOYSA-N
MW512.78 g/mol
LogP8.20
Rot. Bonds8

About bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone

bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone (PubChem CID 73011712) has the molecular formula C35H48N2O and a molecular weight of 512.78 g/mol. Its IUPAC name is bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Namebis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone
PubChem CID73011712
Molecular FormulaC35H48N2O
Molecular Weight512.78 g/mol
Exact Mass512.38
IUPAC Namebis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCCC2)cc1C1CCCC1)c1ccc(CN2CCCCC2)cc1C1CCCC1
InChIInChI=1S/C35H48N2O/c38-35(31-17-15-27(25-36-19-7-1-8-20-36)23-33(31)29-11-3-4-12-29)32-18-16-28(26-37-21-9-2-10-22-37)24-34(32)30-13-5-6-14-30/h15-18,23-24,29-30H,1-14,19-22,25-26H2
InChIKeyKOXMREIQUFFTCP-UHFFFAOYSA-N
XLogP8.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.78
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-cyclopentyl-4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 73011714
bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone
CID 73011711
bis[2-cyclohexyl-3-(piperidin-1-ylmethyl)phenyl]methanone
CID 73011633
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
2-cyclopentyl-6-(pyrrolidin-1-ylmethyl)quinoline
CID 174283618
bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone
CID 73011709
(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
2-nitro-4-(pyrrolidin-1-ylmethyl)benzoyl chloride
CID 87306901
(4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724364
(3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 74236555

Frequently Asked Questions

What is the IUPAC name of bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone (CID 73011712) is bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCCCC2)cc1C1CCCC1)c1ccc(CN2CCCCC2)cc1C1CCCC1.
What is the InChIKey of bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone?
The InChIKey is KOXMREIQUFFTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N2O/c38-35(31-17-15-27(25-36-19-7-1-8-20-36)23-33(31)29-11-3-4-12-29)32-18-16-28(26-37-21-9-2-10-22-37)24-34(32)30-13-5-6-14-30/h15-18,23-24,29-30H,1-14,19-22,25-26H2.
What are the key properties of bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone?
bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone has a molecular weight of 512.78 g/mol, XLogP of 8.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 73011712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).