2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide

C13H25N3O2 — CID 54863272

IUPAC2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
SMILESCC(NC(=O)C(N)C(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-9(2)11(14)12(17)15-10(3)13(18)16-7-5-4-6-8-16/h9-11H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyRQTJRCIVDXMTFO-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds4

About 2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide

2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide (PubChem CID 54863272) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
PubChem CID54863272
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
SMILESCC(NC(=O)C(N)C(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-9(2)11(14)12(17)15-10(3)13(18)16-7-5-4-6-8-16/h9-11H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyRQTJRCIVDXMTFO-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
2-amino-3,3-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)butanamide
CID 113288460
(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 61180719
(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
CID 119292063
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-amino-3-methoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
CID 120986585
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
(2S)-2-amino-N-[2-(azepan-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82959424
2-amino-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
CID 61267195
2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride
CID 120792735
2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 107471478

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide (CID 54863272) is 2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide is CC(NC(=O)C(N)C(C)C)C(=O)N1CCCCC1.
What is the InChIKey of 2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide?
The InChIKey is RQTJRCIVDXMTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)11(14)12(17)15-10(3)13(18)16-7-5-4-6-8-16/h9-11H,4-8,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide?
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide is sourced from PubChem (CID 54863272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).