cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone

C25H30N2O5 — CID 56511756

IUPACcyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H30N2O5/c1-30-21-15-20(16-22(31-2)23(21)32-17-18-7-4-3-5-8-18)25(29)27-13-11-26(12-14-27)24(28)19-9-6-10-19/h3-5,7-8,15-16,19H,6,9-14,17H2,1-2H3
InChIKeyNVOZASXFNOGZPQ-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.37
Rot. Bonds7

About cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone

cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 56511756) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone
PubChem CID56511756
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Namecyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H30N2O5/c1-30-21-15-20(16-22(31-2)23(21)32-17-18-7-4-3-5-8-18)25(29)27-13-11-26(12-14-27)24(28)19-9-6-10-19/h3-5,7-8,15-16,19H,6,9-14,17H2,1-2H3
InChIKeyNVOZASXFNOGZPQ-UHFFFAOYSA-N
XLogP3.37
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949947
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119412235
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012
1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119355480
cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
CID 56510742
tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736788
N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 24547474
2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55456082
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone (CID 56511756) is cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is NVOZASXFNOGZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-30-21-15-20(16-22(31-2)23(21)32-17-18-7-4-3-5-8-18)25(29)27-13-11-26(12-14-27)24(28)19-9-6-10-19/h3-5,7-8,15-16,19H,6,9-14,17H2,1-2H3.
What are the key properties of cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone?
cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 438.52 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56511756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).