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

C33H44N2O3 — CID 73011711

IUPACbis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCOCC2)cc1C1CCCC1)c1ccc(CN2CCOCC2)cc1C1CCCC1
InChIInChI=1S/C33H44N2O3/c36-33(29-11-9-25(23-34-13-17-37-18-14-34)21-31(29)27-5-1-2-6-27)30-12-10-26(24-35-15-19-38-20-16-35)22-32(30)28-7-3-4-8-28/h9-12,21-22,27-28H,1-8,13-20,23-24H2
InChIKeyYUFPMRCGZDNKND-UHFFFAOYSA-N
MW516.73 g/mol
LogP5.90
Rot. Bonds8

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

bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 73011711) has the molecular formula C33H44N2O3 and a molecular weight of 516.73 g/mol. Its IUPAC name is bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Namebis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID73011711
Molecular FormulaC33H44N2O3
Molecular Weight516.73 g/mol
Exact Mass516.34
IUPAC Namebis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCOCC2)cc1C1CCCC1)c1ccc(CN2CCOCC2)cc1C1CCCC1
InChIInChI=1S/C33H44N2O3/c36-33(29-11-9-25(23-34-13-17-37-18-14-34)21-31(29)27-5-1-2-6-27)30-12-10-26(24-35-15-19-38-20-16-35)22-32(30)28-7-3-4-8-28/h9-12,21-22,27-28H,1-8,13-20,23-24H2
InChIKeyYUFPMRCGZDNKND-UHFFFAOYSA-N
XLogP5.90
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.73
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis[2-cyclopentyl-4-(piperidin-1-ylmethyl)phenyl]methanone
CID 73011712
bis[2-cyclopentyl-4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 73011714
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
bis[2-cyclopentyl-4-(1,3-dioxolan-2-yl)phenyl]methanone
CID 73011709
2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide
CID 140972491
(2,4-dimethylphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724237
methyl 2-(hydroxymethyl)-4-(morpholin-4-ylmethyl)benzoate
CID 58137671
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252

Frequently Asked Questions

What is the IUPAC name of bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone (CID 73011711) is bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCOCC2)cc1C1CCCC1)c1ccc(CN2CCOCC2)cc1C1CCCC1.
What is the InChIKey of bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is YUFPMRCGZDNKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N2O3/c36-33(29-11-9-25(23-34-13-17-37-18-14-34)21-31(29)27-5-1-2-6-27)30-12-10-26(24-35-15-19-38-20-16-35)22-32(30)28-7-3-4-8-28/h9-12,21-22,27-28H,1-8,13-20,23-24H2.
What are the key properties of bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone?
bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 516.73 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-cyclopentyl-4-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 73011711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).