2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide

C12H25N3O — CID 62547118

IUPAC2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
SMILESCCC(CN)C(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C12H25N3O/c1-4-10(8-13)12(16)15(3)11-6-5-7-14(2)9-11/h10-11H,4-9,13H2,1-3H3
InChIKeyPEMRLEQEZJLHGO-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.52
Rot. Bonds4

About 2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide

2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide (PubChem CID 62547118) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
PubChem CID62547118
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
SMILESCCC(CN)C(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C12H25N3O/c1-4-10(8-13)12(16)15(3)11-6-5-7-14(2)9-11/h10-11H,4-9,13H2,1-3H3
InChIKeyPEMRLEQEZJLHGO-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
CID 62547851
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid
CID 64889930
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 63613912
2-(aminomethyl)-N-(cyclobutylmethyl)-N-methylbutanamide
CID 62860792
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 115161473
2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butanoic acid
CID 115250032
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide (CID 62547118) is 2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide is CCC(CN)C(=O)N(C)C1CCCN(C)C1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide?
The InChIKey is PEMRLEQEZJLHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-10(8-13)12(16)15(3)11-6-5-7-14(2)9-11/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide?
2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide is sourced from PubChem (CID 62547118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).