4-amino-3-(2-methylpiperidin-1-yl)butanamide

C10H21N3O — CID 66426676

IUPAC4-amino-3-(2-methylpiperidin-1-yl)butanamide
SMILESCC1CCCCN1C(CN)CC(N)=O
InChIInChI=1S/C10H21N3O/c1-8-4-2-3-5-13(8)9(7-11)6-10(12)14/h8-9H,2-7,11H2,1H3,(H2,12,14)
InChIKeyJYZYLVWUHKYMRX-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.06
Rot. Bonds4

About 4-amino-3-(2-methylpiperidin-1-yl)butanamide

4-amino-3-(2-methylpiperidin-1-yl)butanamide (PubChem CID 66426676) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-amino-3-(2-methylpiperidin-1-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-(2-methylpiperidin-1-yl)butanamide
PubChem CID66426676
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-amino-3-(2-methylpiperidin-1-yl)butanamide
SMILESCC1CCCCN1C(CN)CC(N)=O
InChIInChI=1S/C10H21N3O/c1-8-4-2-3-5-13(8)9(7-11)6-10(12)14/h8-9H,2-7,11H2,1H3,(H2,12,14)
InChIKeyJYZYLVWUHKYMRX-UHFFFAOYSA-N
XLogP0.06
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methylpiperidin-1-yl)butanamide?
The IUPAC name of 4-amino-3-(2-methylpiperidin-1-yl)butanamide (CID 66426676) is 4-amino-3-(2-methylpiperidin-1-yl)butanamide.
What is the SMILES notation for 4-amino-3-(2-methylpiperidin-1-yl)butanamide?
The canonical SMILES for 4-amino-3-(2-methylpiperidin-1-yl)butanamide is CC1CCCCN1C(CN)CC(N)=O.
What is the InChIKey of 4-amino-3-(2-methylpiperidin-1-yl)butanamide?
The InChIKey is JYZYLVWUHKYMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8-4-2-3-5-13(8)9(7-11)6-10(12)14/h8-9H,2-7,11H2,1H3,(H2,12,14).
What are the key properties of 4-amino-3-(2-methylpiperidin-1-yl)butanamide?
4-amino-3-(2-methylpiperidin-1-yl)butanamide has a molecular weight of 199.30 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methylpiperidin-1-yl)butanamide is sourced from PubChem (CID 66426676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).