2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide

C19H27N5O3 — CID 18277431

IUPAC2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H27N5O3/c20-19(27)15-5-1-2-6-16(15)21-17(25)13-22-9-11-23(12-10-22)14-18(26)24-7-3-4-8-24/h1-2,5-6H,3-4,7-14H2,(H2,20,27)(H,21,25)
InChIKeyLJTHAFLKNZWMKL-UHFFFAOYSA-N
MW373.46 g/mol
LogP-0.04
Rot. Bonds6

About 2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide

2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 18277431) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID18277431
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H27N5O3/c20-19(27)15-5-1-2-6-16(15)21-17(25)13-22-9-11-23(12-10-22)14-18(26)24-7-3-4-8-24/h1-2,5-6H,3-4,7-14H2,(H2,20,27)(H,21,25)
InChIKeyLJTHAFLKNZWMKL-UHFFFAOYSA-N
XLogP-0.04
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55493980
N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 34725182
2-[[2-(4-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 82342701
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
N-(2,3-dichlorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 42918042
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 60968756
2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide
CID 18284875
2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22197271
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 29157908
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 43025777

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide (CID 18277431) is 2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is LJTHAFLKNZWMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c20-19(27)15-5-1-2-6-16(15)21-17(25)13-22-9-11-23(12-10-22)14-18(26)24-7-3-4-8-24/h1-2,5-6H,3-4,7-14H2,(H2,20,27)(H,21,25).
What are the key properties of 2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide?
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 373.46 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 18277431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).