2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid

C18H22N2O4 — CID 110284320

IUPAC2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)N(CC2CCC2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4/c21-16(22)11-15-18(24)19(12-13-5-4-6-13)9-10-20(15)17(23)14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2,(H,21,22)
InChIKeyKXHJIQBCRNBPDC-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.61
Rot. Bonds5

About 2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid

2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284320) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284320
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)N(CC2CCC2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4/c21-16(22)11-15-18(24)19(12-13-5-4-6-13)9-10-20(15)17(23)14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2,(H,21,22)
InChIKeyKXHJIQBCRNBPDC-UHFFFAOYSA-N
XLogP1.61
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284433
2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284364
2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
CID 110284310
2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
CID 110284122
2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284411
2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284219
2-[1-(cyclobutanecarbonyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284377
2-[3-oxo-4-pent-4-enyl-1-(pyridine-3-carbonyl)piperazin-2-yl]acetic acid
CID 110284340
2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
CID 110284362
2-[(2R,3R)-1,4-dibenzoyl-3-methylpiperazin-2-yl]acetic acid
CID 176721280
9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680583
(3S)-1,4-dibenzoyl-3-prop-2-enylpiperazin-2-one
CID 146607210

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid (CID 110284320) is 2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)N(CC2CCC2)CCN1C(=O)c1ccccc1.
What is the InChIKey of 2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is KXHJIQBCRNBPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16(22)11-15-18(24)19(12-13-5-4-6-13)9-10-20(15)17(23)14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2,(H,21,22).
What are the key properties of 2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 330.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).