2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid

C14H17N3O4 — CID 43521327

IUPAC2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid
SMILESNC(=O)c1ccc(C(=O)N2CCN(CC(=O)O)CC2)cc1
InChIInChI=1S/C14H17N3O4/c15-13(20)10-1-3-11(4-2-10)14(21)17-7-5-16(6-8-17)9-12(18)19/h1-4H,5-9H2,(H2,15,20)(H,18,19)
InChIKeyQVZFKQYIRIDROT-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.37
Rot. Bonds4

About 2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid

2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid (PubChem CID 43521327) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid
PubChem CID43521327
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid
SMILESNC(=O)c1ccc(C(=O)N2CCN(CC(=O)O)CC2)cc1
InChIInChI=1S/C14H17N3O4/c15-13(20)10-1-3-11(4-2-10)14(21)17-7-5-16(6-8-17)9-12(18)19/h1-4H,5-9H2,(H2,15,20)(H,18,19)
InChIKeyQVZFKQYIRIDROT-UHFFFAOYSA-N
XLogP-0.37
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-bromobenzoyl)piperazin-1-yl]acetic acid
CID 43521570
2-[4-(4-methylbenzoyl)piperazin-1-yl]acetic acid
CID 2050629
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
2-[4-[4-(4-carbamimidoylphenyl)benzoyl]piperazin-1-yl]acetic acid;hydrochloride
CID 18933509
2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824800
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823914
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetic acid
CID 63209941
4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide
CID 166208512
4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 27850994
2-[4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]acetic acid
CID 63733269

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid (CID 43521327) is 2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid is NC(=O)c1ccc(C(=O)N2CCN(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid?
The InChIKey is QVZFKQYIRIDROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-13(20)10-1-3-11(4-2-10)14(21)17-7-5-16(6-8-17)9-12(18)19/h1-4H,5-9H2,(H2,15,20)(H,18,19).
What are the key properties of 2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid?
2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid has a molecular weight of 291.31 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).