2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide

C16H31N3O2 — CID 76887363

IUPAC2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-15(2,3)12(17)13(20)18-11-7-9-19(10-8-11)14(21)16(4,5)6/h11-12H,7-10,17H2,1-6H3,(H,18,20)
InChIKeyWTTUZCNIRBSEIH-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.51
Rot. Bonds2

About 2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide

2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide (PubChem CID 76887363) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
PubChem CID76887363
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-15(2,3)12(17)13(20)18-11-7-9-19(10-8-11)14(21)16(4,5)6/h11-12H,7-10,17H2,1-6H3,(H,18,20)
InChIKeyWTTUZCNIRBSEIH-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
CID 68920493
(2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide
CID 61178441
(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
2-(tert-butylamino)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 49488670
(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
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 61154783

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide (CID 76887363) is 2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide is CC(C)(C)C(=O)N1CCC(NC(=O)C(N)C(C)(C)C)CC1.
What is the InChIKey of 2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The InChIKey is WTTUZCNIRBSEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-15(2,3)12(17)13(20)18-11-7-9-19(10-8-11)14(21)16(4,5)6/h11-12H,7-10,17H2,1-6H3,(H,18,20).
What are the key properties of 2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide has a molecular weight of 297.44 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76887363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).