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

C16H22N2O4 — CID 110284219

IUPAC2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)N(CC2CCC2)CCN1Cc1ccco1
InChIInChI=1S/C16H22N2O4/c19-15(20)9-14-16(21)18(10-12-3-1-4-12)7-6-17(14)11-13-5-2-8-22-13/h2,5,8,12,14H,1,3-4,6-7,9-11H2,(H,19,20)
InChIKeyCVSZCTCKSFTNIQ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.57
Rot. Bonds6

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

2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284219) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284219
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)N(CC2CCC2)CCN1Cc1ccco1
InChIInChI=1S/C16H22N2O4/c19-15(20)9-14-16(21)18(10-12-3-1-4-12)7-6-17(14)11-13-5-2-8-22-13/h2,5,8,12,14H,1,3-4,6-7,9-11H2,(H,19,20)
InChIKeyCVSZCTCKSFTNIQ-UHFFFAOYSA-N
XLogP1.57
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284320
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid
CID 110284244
2-[4-(furan-2-ylmethyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80519596
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284364
2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284258
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
3-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-6-yl]propanoic acid
CID 117011105
2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284433
2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid
CID 62689381
2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
CID 117011250
2-(cyclobutylmethyl)furan
CID 139469251

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid (CID 110284219) is 2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)N(CC2CCC2)CCN1Cc1ccco1.
What is the InChIKey of 2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is CVSZCTCKSFTNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-15(20)9-14-16(21)18(10-12-3-1-4-12)7-6-17(14)11-13-5-2-8-22-13/h2,5,8,12,14H,1,3-4,6-7,9-11H2,(H,19,20).
What are the key properties of 2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid?
2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 306.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).