2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide

C12H25N5O2 — CID 63897620

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCC1CN(C)CCN1C
InChIInChI=1S/C12H25N5O2/c1-9(11(18)15-12(19)13-2)14-7-10-8-16(3)5-6-17(10)4/h9-10,14H,5-8H2,1-4H3,(H2,13,15,18,19)
InChIKeyMIEYZNXYGMOJAK-UHFFFAOYSA-N
MW271.36 g/mol
LogP-1.33
Rot. Bonds4

About 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide

2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 63897620) has the molecular formula C12H25N5O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID63897620
Molecular FormulaC12H25N5O2
Molecular Weight271.36 g/mol
Exact Mass271.20
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCC1CN(C)CCN1C
InChIInChI=1S/C12H25N5O2/c1-9(11(18)15-12(19)13-2)14-7-10-8-16(3)5-6-17(10)4/h9-10,14H,5-8H2,1-4H3,(H2,13,15,18,19)
InChIKeyMIEYZNXYGMOJAK-UHFFFAOYSA-N
XLogP-1.33
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide
CID 63897621
2-(cyclopropylmethylamino)-N-(methylcarbamoyl)propanamide
CID 43116558
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 43084476
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine
CID 114279927
2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 115623786
3-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]butanoic acid
CID 63896213
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
CID 63898738
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
CID 154789742
(2S)-2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-3-methylbutanoic acid
CID 63898251
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide (CID 63897620) is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NCC1CN(C)CCN1C.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is MIEYZNXYGMOJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2/c1-9(11(18)15-12(19)13-2)14-7-10-8-16(3)5-6-17(10)4/h9-10,14H,5-8H2,1-4H3,(H2,13,15,18,19).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 271.36 g/mol, XLogP of -1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 63897620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).