2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide

C12H25N5O2 — CID 80507114

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCN(C)CC1CN
InChIInChI=1S/C12H25N5O2/c1-4-14-12(19)15-11(18)9(2)17-6-5-16(3)8-10(17)7-13/h9-10H,4-8,13H2,1-3H3,(H2,14,15,18,19)
InChIKeyKVIUKLQWWXDSCJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP-1.20
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide (PubChem CID 80507114) has the molecular formula C12H25N5O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
PubChem CID80507114
Molecular FormulaC12H25N5O2
Molecular Weight271.36 g/mol
Exact Mass271.20
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCN(C)CC1CN
InChIInChI=1S/C12H25N5O2/c1-4-14-12(19)15-11(18)9(2)17-6-5-16(3)8-10(17)7-13/h9-10H,4-8,13H2,1-3H3,(H2,14,15,18,19)
InChIKeyKVIUKLQWWXDSCJ-UHFFFAOYSA-N
XLogP-1.20
TPSA90.70 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 ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide (CID 80507114) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)N1CCN(C)CC1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide?
The InChIKey is KVIUKLQWWXDSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2/c1-4-14-12(19)15-11(18)9(2)17-6-5-16(3)8-10(17)7-13/h9-10H,4-8,13H2,1-3H3,(H2,14,15,18,19).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide has a molecular weight of 271.36 g/mol, XLogP of -1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 80507114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).