2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide

C14H29N3O — CID 76893128

IUPAC2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide
SMILESCC(CN1CCCCC1)NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H29N3O/c1-11(10-17-8-6-5-7-9-17)16-13(18)12(15)14(2,3)4/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyXKHKYAGXZKFLQL-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds4

About 2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide

2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide (PubChem CID 76893128) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide
PubChem CID76893128
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide
SMILESCC(CN1CCCCC1)NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H29N3O/c1-11(10-17-8-6-5-7-9-17)16-13(18)12(15)14(2,3)4/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyXKHKYAGXZKFLQL-UHFFFAOYSA-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

(2S)-2-amino-3,3-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]butanamide;trihydrochloride
CID 119902941
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423
(2S)-2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3,3-dimethylbutanamide;dihydrochloride
CID 119863522
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
2-methyl-3-oxo-3-(1-piperidin-1-ylpropan-2-ylamino)propanoic acid
CID 114898104
2-amino-3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 81088313
2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 43695355
3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride
CID 119851496
2-methyl-2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 55122215
(2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
CID 119851464
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide (CID 76893128) is 2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide is CC(CN1CCCCC1)NC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide?
The InChIKey is XKHKYAGXZKFLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(10-17-8-6-5-7-9-17)16-13(18)12(15)14(2,3)4/h11-12H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide?
2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)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 2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide is sourced from PubChem (CID 76893128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).