2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride

C14H20ClN3O2 — CID 110282432

IUPAC2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride
SMILESCC(NC(=O)CC1NCCNC1=O)c1ccccc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10(11-5-3-2-4-6-11)17-13(18)9-12-14(19)16-8-7-15-12;/h2-6,10,12,15H,7-9H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyMWLYCIZXMQCNRF-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.76
Rot. Bonds4

About 2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride

2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride (PubChem CID 110282432) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride
PubChem CID110282432
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride
SMILESCC(NC(=O)CC1NCCNC1=O)c1ccccc1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10(11-5-3-2-4-6-11)17-13(18)9-12-14(19)16-8-7-15-12;/h2-6,10,12,15H,7-9H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyMWLYCIZXMQCNRF-UHFFFAOYSA-N
XLogP0.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide
CID 54794720
2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6927912
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1-phenylethyl)acetamide
CID 118985656
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 699845
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-phenylethyl)acetamide
CID 75465794
N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide
CID 139762199
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide
CID 6931256
methyl 2-[(2S)-3-oxo-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperazin-1-ium-2-yl]acetate
CID 11929713
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
2-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 102574709
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride (CID 110282432) is 2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride is CC(NC(=O)CC1NCCNC1=O)c1ccccc1.Cl.
What is the InChIKey of 2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride?
The InChIKey is MWLYCIZXMQCNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-10(11-5-3-2-4-6-11)17-13(18)9-12-14(19)16-8-7-15-12;/h2-6,10,12,15H,7-9H2,1H3,(H,16,19)(H,17,18);1H.
What are the key properties of 2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride?
2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 110282432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).