4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide

C13H22N6O2 — CID 107497233

IUPAC4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cn(CCN)cn2)CC1
InChIInChI=1S/C13H22N6O2/c1-16(2)13(21)19-7-5-18(6-8-19)12(20)11-9-17(4-3-14)10-15-11/h9-10H,3-8,14H2,1-2H3
InChIKeyGZNGSUGEHAZGLM-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.72
Rot. Bonds3

About 4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide

4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 107497233) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID107497233
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cn(CCN)cn2)CC1
InChIInChI=1S/C13H22N6O2/c1-16(2)13(21)19-7-5-18(6-8-19)12(20)11-9-17(4-3-14)10-15-11/h9-10H,3-8,14H2,1-2H3
InChIKeyGZNGSUGEHAZGLM-UHFFFAOYSA-N
XLogP-0.72
TPSA87.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-aminoethyl)imidazol-4-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114172299
[1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 107498501
1-[1-(2-aminoethyl)imidazole-4-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 107498462
[1-(2-aminoethyl)imidazol-4-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107499858
1-[1-(2-aminoethyl)imidazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 107498657
2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 107499557
[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107499533
[1-(2-aminoethyl)imidazol-4-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 107499846
[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone
CID 107497963
1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide
CID 107498076
1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide
CID 107499326
methyl 1-[1-(2-aminoethyl)imidazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 107496963

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide (CID 107497233) is 4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2cn(CCN)cn2)CC1.
What is the InChIKey of 4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is GZNGSUGEHAZGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-16(2)13(21)19-7-5-18(6-8-19)12(20)11-9-17(4-3-14)10-15-11/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 294.36 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 107497233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).