(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide

C14H29N3O — CID 113353389

IUPAC(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
SMILESCC(CNC(=O)[C@H](N)C(C)(C)C)N1CCCCC1
InChIInChI=1S/C14H29N3O/c1-11(17-8-6-5-7-9-17)10-16-13(18)12(15)14(2,3)4/h11-12H,5-10,15H2,1-4H3,(H,16,18)/t11?,12-/m0/s1
InChIKeyWHRAFELJNHTOKC-KIYNQFGBSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds4

About (2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide (PubChem CID 113353389) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
PubChem CID113353389
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
SMILESCC(CNC(=O)[C@H](N)C(C)(C)C)N1CCCCC1
InChIInChI=1S/C14H29N3O/c1-11(17-8-6-5-7-9-17)10-16-13(18)12(15)14(2,3)4/h11-12H,5-10,15H2,1-4H3,(H,16,18)/t11?,12-/m0/s1
InChIKeyWHRAFELJNHTOKC-KIYNQFGBSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 54899691
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423
(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide
CID 61173580
(2S)-2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)-3,3-dimethylbutanamide;dihydrochloride
CID 119842204
(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107570261
2-pyrrolidin-1-ylpropylurea
CID 112728366
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
2-methyl-3-oxo-3-(2-pyrrolidin-1-ylpropylamino)propanoic acid
CID 114898830
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 114328963
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide (CID 113353389) is (2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide is CC(CNC(=O)[C@H](N)C(C)(C)C)N1CCCCC1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide?
The InChIKey is WHRAFELJNHTOKC-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(17-8-6-5-7-9-17)10-16-13(18)12(15)14(2,3)4/h11-12H,5-10,15H2,1-4H3,(H,16,18)/t11?,12-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide is sourced from PubChem (CID 113353389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).