(2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide

C15H31N3O — CID 103929164

IUPAC(2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)N1CCC(N(C)C(=O)[C@H](N)C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-11(2)18-9-7-12(8-10-18)17(6)14(19)13(16)15(3,4)5/h11-13H,7-10,16H2,1-6H3/t13-/m0/s1
InChIKeyBETWAPSZWKIWMW-ZDUSSCGKSA-N
MW269.43 g/mol
LogP1.69
Rot. Bonds3

About (2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide

(2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide (PubChem CID 103929164) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is (2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
PubChem CID103929164
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name(2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC(C)N1CCC(N(C)C(=O)[C@H](N)C(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-11(2)18-9-7-12(8-10-18)17(6)14(19)13(16)15(3,4)5/h11-13H,7-10,16H2,1-6H3/t13-/m0/s1
InChIKeyBETWAPSZWKIWMW-ZDUSSCGKSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842358
2-amino-N-cyclopentyl-N,3,3-trimethylbutanamide
CID 76893337
(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
CID 113353538
2,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103497623
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
2-amino-N-methyl-4-methylsulfonyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60939711
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 76893547
(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842325
3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842368
3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 119842319
(2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide
CID 99850045
2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide
CID 173122588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The IUPAC name of (2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide (CID 103929164) is (2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The canonical SMILES for (2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide is CC(C)N1CCC(N(C)C(=O)[C@H](N)C(C)(C)C)CC1.
What is the InChIKey of (2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The InChIKey is BETWAPSZWKIWMW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11(2)18-9-7-12(8-10-18)17(6)14(19)13(16)15(3,4)5/h11-13H,7-10,16H2,1-6H3/t13-/m0/s1.
What are the key properties of (2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
(2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide has a molecular weight of 269.43 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 103929164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).