3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide

C13H21N5O2 — CID 43603160

IUPAC3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)CCn1ccnc1
InChIInChI=1S/C13H21N5O2/c1-16(10-13(20)18-8-4-14-5-9-18)12(19)2-6-17-7-3-15-11-17/h3,7,11,14H,2,4-6,8-10H2,1H3
InChIKeyJSWDVBRIHFTQTH-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.84
Rot. Bonds5

About 3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide

3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide (PubChem CID 43603160) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
PubChem CID43603160
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)CCn1ccnc1
InChIInChI=1S/C13H21N5O2/c1-16(10-13(20)18-8-4-14-5-9-18)12(19)2-6-17-7-3-15-11-17/h3,7,11,14H,2,4-6,8-10H2,1H3
InChIKeyJSWDVBRIHFTQTH-UHFFFAOYSA-N
XLogP-0.84
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 43603133
N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pentanamide
CID 43603175
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 124557729
3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63248882
3-imidazol-1-yl-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823501
2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone
CID 54960870
2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 62137503
1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125704
2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid
CID 61021860
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid
CID 63125262

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide (CID 43603160) is 3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide is CN(CC(=O)N1CCNCC1)C(=O)CCn1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide?
The InChIKey is JSWDVBRIHFTQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-16(10-13(20)18-8-4-14-5-9-18)12(19)2-6-17-7-3-15-11-17/h3,7,11,14H,2,4-6,8-10H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide?
3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of -0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 43603160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).