N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide

C13H25N3O2 — CID 68920493

IUPACN-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
SMILESCC(=O)N1CCC(NC(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-9(17)16-7-5-10(6-8-16)15-12(18)11(14)13(2,3)4/h10-11H,5-8,14H2,1-4H3,(H,15,18)
InChIKeyRGQCMCZLDXDXMP-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide

N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide (PubChem CID 68920493) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
PubChem CID68920493
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
SMILESCC(=O)N1CCC(NC(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-9(17)16-7-5-10(6-8-16)15-12(18)11(14)13(2,3)4/h10-11H,5-8,14H2,1-4H3,(H,15,18)
InChIKeyRGQCMCZLDXDXMP-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 76887363
(2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 61179355
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
(2S)-2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119808784
(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide
CID 103810218
(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 119812015
(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride
CID 119779394
(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 61154783
(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide
CID 104864652
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide (CID 68920493) is N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide is CC(=O)N1CCC(NC(=O)C(N)C(C)(C)C)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide?
The InChIKey is RGQCMCZLDXDXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(17)16-7-5-10(6-8-16)15-12(18)11(14)13(2,3)4/h10-11H,5-8,14H2,1-4H3,(H,15,18).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide?
N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide is sourced from PubChem (CID 68920493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).