4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one

C21H30N2O3 — CID 166370448

IUPAC4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one
SMILESCOCc1ccc(C(=O)N2CCN(C(=O)CCCC3CCC3)CC2)cc1
InChIInChI=1S/C21H30N2O3/c1-26-16-18-8-10-19(11-9-18)21(25)23-14-12-22(13-15-23)20(24)7-3-6-17-4-2-5-17/h8-11,17H,2-7,12-16H2,1H3
InChIKeyWJAMIEOBZHAMMV-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.09
Rot. Bonds7

About 4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one

4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one (PubChem CID 166370448) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one
PubChem CID166370448
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one
SMILESCOCc1ccc(C(=O)N2CCN(C(=O)CCCC3CCC3)CC2)cc1
InChIInChI=1S/C21H30N2O3/c1-26-16-18-8-10-19(11-9-18)21(25)23-14-12-22(13-15-23)20(24)7-3-6-17-4-2-5-17/h8-11,17H,2-7,12-16H2,1H3
InChIKeyWJAMIEOBZHAMMV-UHFFFAOYSA-N
XLogP3.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119285166
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 115746439
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546035
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124611915
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 60604837
3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021042
[4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 70792444

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one (CID 166370448) is 4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one is COCc1ccc(C(=O)N2CCN(C(=O)CCCC3CCC3)CC2)cc1.
What is the InChIKey of 4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one?
The InChIKey is WJAMIEOBZHAMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-26-16-18-8-10-19(11-9-18)21(25)23-14-12-22(13-15-23)20(24)7-3-6-17-4-2-5-17/h8-11,17H,2-7,12-16H2,1H3.
What are the key properties of 4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one?
4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one has a molecular weight of 358.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 166370448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).