2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide

C12H25N3O — CID 79993447

IUPAC2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CC(C)CC(N)C1
InChIInChI=1S/C12H25N3O/c1-9(2)5-14-12(16)8-15-6-10(3)4-11(13)7-15/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeySBQIDXMQQYRBQK-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.43
Rot. Bonds4

About 2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide

2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 79993447) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID79993447
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CC(C)CC(N)C1
InChIInChI=1S/C12H25N3O/c1-9(2)5-14-12(16)8-15-6-10(3)4-11(13)7-15/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeySBQIDXMQQYRBQK-UHFFFAOYSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-amino-5-methylpiperidin-1-yl)-N-ethylpropanamide
CID 79994375
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 79993547
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 78930704
N-[2-(3-amino-5-methylpiperidin-1-yl)ethyl]acetamide
CID 79993303
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119915902
2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
CID 63760908
2-[[2-(3-amino-5-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 79992543
2-(4-aminopiperidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102905813
3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide
CID 79994371
2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
CID 79994575
2-(3-amino-5-methylpiperidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 79993534
1-(2,3-dichloroprop-2-enyl)-5-methylpiperidin-3-amine
CID 79993012

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide (CID 79993447) is 2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CC(C)CC(N)C1.
What is the InChIKey of 2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is SBQIDXMQQYRBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)5-14-12(16)8-15-6-10(3)4-11(13)7-15/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide?
2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 79993447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).