(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide

C12H23N3O2 — CID 61178983

IUPAC(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
SMILESCC(=O)N1CCC(NC(=O)[C@@H](N)C(C)C)CC1
InChIInChI=1S/C12H23N3O2/c1-8(2)11(13)12(17)14-10-4-6-15(7-5-10)9(3)16/h8,10-11H,4-7,13H2,1-3H3,(H,14,17)/t11-/m0/s1
InChIKeyTZDZAEOLRJHXLZ-NSHDSACASA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds3

About (2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide

(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide (PubChem CID 61178983) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
PubChem CID61178983
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
SMILESCC(=O)N1CCC(NC(=O)[C@@H](N)C(C)C)CC1
InChIInChI=1S/C12H23N3O2/c1-8(2)11(13)12(17)14-10-4-6-15(7-5-10)9(3)16/h8,10-11H,4-7,13H2,1-3H3,(H,14,17)/t11-/m0/s1
InChIKeyTZDZAEOLRJHXLZ-NSHDSACASA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide
CID 61178441
N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
CID 68920493
(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 61465199
N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide
CID 62671383
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119276932
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
N-(1-acetylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62639484
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
N-(1-acetylpiperidin-4-yl)-2-methoxypropanamide
CID 47308595
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 43223288

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide?
The IUPAC name of (2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide (CID 61178983) is (2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide.
What is the SMILES notation for (2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide?
The canonical SMILES for (2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide is CC(=O)N1CCC(NC(=O)[C@@H](N)C(C)C)CC1.
What is the InChIKey of (2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide?
The InChIKey is TZDZAEOLRJHXLZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)11(13)12(17)14-10-4-6-15(7-5-10)9(3)16/h8,10-11H,4-7,13H2,1-3H3,(H,14,17)/t11-/m0/s1.
What are the key properties of (2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide?
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide is sourced from PubChem (CID 61178983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).