2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide

C10H22N4O — CID 80504793

IUPAC2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C)CC1CN
InChIInChI=1S/C10H22N4O/c1-3-4-12-10(15)14-6-5-13(2)8-9(14)7-11/h9H,3-8,11H2,1-2H3,(H,12,15)
InChIKeyLGRMRXNDTRNWKD-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.32
Rot. Bonds3

About 2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide

2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide (PubChem CID 80504793) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide
PubChem CID80504793
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C)CC1CN
InChIInChI=1S/C10H22N4O/c1-3-4-12-10(15)14-6-5-13(2)8-9(14)7-11/h9H,3-8,11H2,1-2H3,(H,12,15)
InChIKeyLGRMRXNDTRNWKD-UHFFFAOYSA-N
XLogP-0.32
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide
CID 80504975
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623
2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide
CID 167769557
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 80505095
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
CID 80505035
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 80504839
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 80504912
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 80504874
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 104872381
N-[2-[2-(aminomethyl)-4-methylpiperazin-1-yl]ethyl]acetamide
CID 80507319
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide
CID 80507138
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide
CID 63897621

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide (CID 80504793) is 2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C)CC1CN.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide?
The InChIKey is LGRMRXNDTRNWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-3-4-12-10(15)14-6-5-13(2)8-9(14)7-11/h9H,3-8,11H2,1-2H3,(H,12,15).
What are the key properties of 2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide?
2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 80504793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).