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

C14H25N3O — CID 55049291

IUPACN-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide
SMILESCCN(CC(C)C#N)C(=O)CCC1CCCCN1
InChIInChI=1S/C14H25N3O/c1-3-17(11-12(2)10-15)14(18)8-7-13-6-4-5-9-16-13/h12-13,16H,3-9,11H2,1-2H3
InChIKeyCMVSYAPEWJWXNT-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.92
Rot. Bonds6

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

N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide (PubChem CID 55049291) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide
PubChem CID55049291
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide
SMILESCCN(CC(C)C#N)C(=O)CCC1CCCCN1
InChIInChI=1S/C14H25N3O/c1-3-17(11-12(2)10-15)14(18)8-7-13-6-4-5-9-16-13/h12-13,16H,3-9,11H2,1-2H3
InChIKeyCMVSYAPEWJWXNT-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid
CID 62211166
3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile
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N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211639
N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide
CID 51092606
N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899386
3-piperidin-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55211669
4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
CID 60962664
N-[(2S)-2-cyanopropyl]-N-ethyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 98850108
N-butyl-N-methyl-3-piperidin-2-ylpropanamide
CID 62210320
N-ethyl-3-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)propanamide
CID 106626168
7-amino-N-(2-cyanopropyl)-N-ethylheptanamide
CID 54873246
N-(2-cyanopropyl)-N-methylazepane-2-carboxamide
CID 64563051

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide (CID 55049291) is N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide is CCN(CC(C)C#N)C(=O)CCC1CCCCN1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide?
The InChIKey is CMVSYAPEWJWXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-17(11-12(2)10-15)14(18)8-7-13-6-4-5-9-16-13/h12-13,16H,3-9,11H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide?
N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide has a molecular weight of 251.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 55049291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).