N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide

C13H23N3O — CID 43288560

IUPACN-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1CCC(=O)N(C)CCC#N
InChIInChI=1S/C13H23N3O/c1-12-6-3-4-10-16(12)11-7-13(17)15(2)9-5-8-14/h12H,3-7,9-11H2,1-2H3
InChIKeyRVJCIXOODRCCHG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.62
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide

N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide (PubChem CID 43288560) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide
PubChem CID43288560
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1CCC(=O)N(C)CCC#N
InChIInChI=1S/C13H23N3O/c1-12-6-3-4-10-16(12)11-7-13(17)15(2)9-5-8-14/h12H,3-7,9-11H2,1-2H3
InChIKeyRVJCIXOODRCCHG-UHFFFAOYSA-N
XLogP1.62
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 43288895
N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide
CID 43585997
N-(2-cyanoethyl)-N-methyl-2-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]benzamide
CID 95308016
N-(2-cyanoethyl)-N-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]benzamide
CID 95308015
N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 43288810
N-(2-cyanoethyl)-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 107223079
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide
CID 56501336
N-(2-cyanoethyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide
CID 103895030
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
3-(3-azaspiro[5.5]undecan-3-yl)-N-(2-cyanoethyl)-N-methylpropanamide
CID 62937400
N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 43214011

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide (CID 43288560) is N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide is CC1CCCCN1CCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide?
The InChIKey is RVJCIXOODRCCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12-6-3-4-10-16(12)11-7-13(17)15(2)9-5-8-14/h12H,3-7,9-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide?
N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide has a molecular weight of 237.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 43288560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).