2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide

C14H29N3O — CID 103441911

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CCC(C)CC1CN
InChIInChI=1S/C14H29N3O/c1-10(2)9-16-14(18)12(4)17-6-5-11(3)7-13(17)8-15/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeySBIZHPXMHOXANF-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds5

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 103441911) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID103441911
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N1CCC(C)CC1CN
InChIInChI=1S/C14H29N3O/c1-10(2)9-16-14(18)12(4)17-6-5-11(3)7-13(17)8-15/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeySBIZHPXMHOXANF-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide (CID 103441911) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N1CCC(C)CC1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is SBIZHPXMHOXANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10(2)9-16-14(18)12(4)17-6-5-11(3)7-13(17)8-15/h10-13H,5-9,15H2,1-4H3,(H,16,18).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 103441911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).