N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide

C13H26N2O — CID 110855386

IUPACN-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-13(2,3)14-12(16)9-8-11-7-5-6-10-15(11)4/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyKWPORUYWTKKUEK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds3

About N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide

N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide (PubChem CID 110855386) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide
PubChem CID110855386
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-13(2,3)14-12(16)9-8-11-7-5-6-10-15(11)4/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyKWPORUYWTKKUEK-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
sodium 3-(1-methylpiperidin-2-yl)propanoate
CID 172639720
3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid
CID 54926001
N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271
3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 110865151
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
N-tert-butyl-2-[[N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]carbamimidoyl]amino]acetamide
CID 111384659
3-(1-methylpiperidin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 110849364
N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 99797989
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid
CID 43441253
methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
CID 80711675

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide?
The IUPAC name of N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide (CID 110855386) is N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide?
The canonical SMILES for N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide is CN1CCCCC1CCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide?
The InChIKey is KWPORUYWTKKUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)14-12(16)9-8-11-7-5-6-10-15(11)4/h11H,5-10H2,1-4H3,(H,14,16).
What are the key properties of N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide?
N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide is sourced from PubChem (CID 110855386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).