N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide

C13H23N3O — CID 83198573

IUPACN-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C#N)CNC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C13H23N3O/c1-10(7-14)8-16-12(17)13(2,3)11-5-4-6-15-9-11/h10-11,15H,4-6,8-9H2,1-3H3,(H,16,17)
InChIKeyOPNRHPOVTDEZHV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.29
Rot. Bonds4

About N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide

N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 83198573) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID83198573
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C#N)CNC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C13H23N3O/c1-10(7-14)8-16-12(17)13(2,3)11-5-4-6-15-9-11/h10-11,15H,4-6,8-9H2,1-3H3,(H,16,17)
InChIKeyOPNRHPOVTDEZHV-UHFFFAOYSA-N
XLogP1.29
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198731
2-methyl-2-piperidin-3-yl-N-(2-piperidin-1-ylpropyl)propanamide
CID 83198343
2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-piperidin-3-ylpropanamide
CID 115881604
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
2-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-2-piperidin-3-ylpropanamide
CID 115881590
2,2-dimethyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanamide
CID 103884926
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031807
2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 83199902
N-[2-(diethylamino)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031262
2-methyl-N-(2-methylbutan-2-yl)-2-piperidin-3-ylpropanamide
CID 83199732
N-[(1R)-1-cycloheptylethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83198749

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide (CID 83198573) is N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide is CC(C#N)CNC(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is OPNRHPOVTDEZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(7-14)8-16-12(17)13(2,3)11-5-4-6-15-9-11/h10-11,15H,4-6,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide?
N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 237.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83198573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).