2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide

C10H20N6O2 — CID 174293230

IUPAC2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide
SMILESCNC(=O)CN(N)/C=C(\N)CN1CCNCC1=O
InChIInChI=1S/C10H20N6O2/c1-13-9(17)7-16(12)6-8(11)5-15-3-2-14-4-10(15)18/h6,14H,2-5,7,11-12H2,1H3,(H,13,17)/b8-6-
InChIKeyXQZVLEOARAKNRW-VURMDHGXSA-N
MW256.31 g/mol
LogP-2.86
Rot. Bonds5

About 2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide

2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide (PubChem CID 174293230) has the molecular formula C10H20N6O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide
PubChem CID174293230
Molecular FormulaC10H20N6O2
Molecular Weight256.31 g/mol
Exact Mass256.16
IUPAC Name2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide
SMILESCNC(=O)CN(N)/C=C(\N)CN1CCNCC1=O
InChIInChI=1S/C10H20N6O2/c1-13-9(17)7-16(12)6-8(11)5-15-3-2-14-4-10(15)18/h6,14H,2-5,7,11-12H2,1H3,(H,13,17)/b8-6-
InChIKeyXQZVLEOARAKNRW-VURMDHGXSA-N
XLogP-2.86
TPSA116.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-2.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Tert-butyl-5-methylidenepiperazin-2-one
CID 59009296
N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide
CID 88974746
N-(2,3-dihydro-1H-triazol-4-ylmethyl)-2-(dimethylamino)acetamide
CID 118411396
2-(4-Amino-1,5-dihydropyrazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 129270082
N-[(3-methyl-1,2-dihydrotriazol-2-ium-5-yl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 144934550
N-ethenyl-N-methyl-2-(2-methyl-2-piperazin-1-ylhydrazinyl)prop-2-enamide
CID 166729684
1-[(1E)-1-[ethyl(methyl)amino]buta-1,3-dien-2-yl]piperazin-2-one
CID 169662703
2-[amino-[(Z)-2-amino-3-(2-oxo-4-prop-2-enoylpiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide
CID 174293241
N'-(4-methylpiperazin-1-yl)-N-prop-2-enyloxamide
CID 44996002
2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone
CID 143292610
N-[(3-methyl-1,2-dihydrotriazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 144934551
4-[2-(Propan-2-ylamino)prop-2-enyl]piperazin-2-one
CID 165027094

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide?
The IUPAC name of 2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide (CID 174293230) is 2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide is CNC(=O)CN(N)/C=C(\N)CN1CCNCC1=O.
What is the InChIKey of 2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide?
The InChIKey is XQZVLEOARAKNRW-VURMDHGXSA-N. The full InChI is InChI=1S/C10H20N6O2/c1-13-9(17)7-16(12)6-8(11)5-15-3-2-14-4-10(15)18/h6,14H,2-5,7,11-12H2,1H3,(H,13,17)/b8-6-.
What are the key properties of 2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide?
2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide has a molecular weight of 256.31 g/mol, XLogP of -2.86, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[(Z)-2-amino-3-(2-oxopiperazin-1-yl)prop-1-enyl]amino]-N-methylacetamide is sourced from PubChem (CID 174293230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).