4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide

C17H23N5O3 — CID 18094213

IUPAC4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C1CN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CCN1
InChIInChI=1S/C17H23N5O3/c23-15-12-20(7-6-18-15)13-16(24)21-8-10-22(11-9-21)17(25)19-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,18,23)(H,19,25)
InChIKeyQZUCIMFLEVOORW-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.21
Rot. Bonds3

About 4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide

4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 18094213) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
PubChem CID18094213
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C1CN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CCN1
InChIInChI=1S/C17H23N5O3/c23-15-12-20(7-6-18-15)13-16(24)21-8-10-22(11-9-21)17(25)19-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,18,23)(H,19,25)
InChIKeyQZUCIMFLEVOORW-UHFFFAOYSA-N
XLogP-0.21
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094262
4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 18093895
3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
CID 50831233
4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one
CID 8548443
4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 50831198
N-phenyl-4-(2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 110811558
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide
CID 8963237
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-2-one
CID 41304106
2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide (CID 18094213) is 4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide is O=C1CN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CCN1.
What is the InChIKey of 4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is QZUCIMFLEVOORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c23-15-12-20(7-6-18-15)13-16(24)21-8-10-22(11-9-21)17(25)19-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,18,23)(H,19,25).
What are the key properties of 4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide?
4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 345.40 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 18094213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).