(2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide

C14H27N3O2 — CID 82961583

IUPAC(2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide
SMILESCC1CC(C)CN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-9(2)13(15)14(19)16-6-12(18)17-7-10(3)5-11(4)8-17/h9-11,13H,5-8,15H2,1-4H3,(H,16,19)/t10?,11?,13-/m0/s1
InChIKeyZEMLXTAWITYGNA-XIVSLSHWSA-N
MW269.39 g/mol
LogP0.59
Rot. Bonds4

About (2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide (PubChem CID 82961583) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide
PubChem CID82961583
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide
SMILESCC1CC(C)CN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-9(2)13(15)14(19)16-6-12(18)17-7-10(3)5-11(4)8-17/h9-11,13H,5-8,15H2,1-4H3,(H,16,19)/t10?,11?,13-/m0/s1
InChIKeyZEMLXTAWITYGNA-XIVSLSHWSA-N
XLogP0.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(azepan-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82959424
(2S)-2-amino-N-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962160
2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60847225
(2S)-N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-amino-3-methylbutanamide
CID 82963322
(2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 82963766
(2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962109
(2S)-2-amino-N-[2-(2,3-dimethylthiomorpholin-4-yl)-2-oxoethyl]-3-methylbutanamide
CID 103885015
(2S)-2-amino-3-methyl-N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]butanamide
CID 82964397
(2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide
CID 102743749
(2S)-2-amino-3-methyl-N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]butanamide
CID 103885017
(2S)-2-amino-N-[2-(4,4-dimethylazepan-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962022
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone
CID 99855126

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide (CID 82961583) is (2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide is CC1CC(C)CN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1.
What is the InChIKey of (2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is ZEMLXTAWITYGNA-XIVSLSHWSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-9(2)13(15)14(19)16-6-12(18)17-7-10(3)5-11(4)8-17/h9-11,13H,5-8,15H2,1-4H3,(H,16,19)/t10?,11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 269.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82961583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).