N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide

C14H23N3O3 — CID 56501336

IUPACN-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide
SMILESCN(CCC#N)C(=O)CN1CCCCC1C1OCCO1
InChIInChI=1S/C14H23N3O3/c1-16(7-4-6-15)13(18)11-17-8-3-2-5-12(17)14-19-9-10-20-14/h12,14H,2-5,7-11H2,1H3
InChIKeySYNPAEHVBOVGLS-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.59
Rot. Bonds5

About N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide

N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide (PubChem CID 56501336) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide
PubChem CID56501336
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide
SMILESCN(CCC#N)C(=O)CN1CCCCC1C1OCCO1
InChIInChI=1S/C14H23N3O3/c1-16(7-4-6-15)13(18)11-17-8-3-2-5-12(17)14-19-9-10-20-14/h12,14H,2-5,7-11H2,1H3
InChIKeySYNPAEHVBOVGLS-UHFFFAOYSA-N
XLogP0.59
TPSA65.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide
CID 43288560
N-(2-cyanoethyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)acetamide
CID 62989015
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032762
tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate
CID 56526939
N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 43214011
(2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 94800274
N-(2-cyanoethyl)-N-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 78959462
4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83097301
N-(2-cyanoethyl)-2-(3,4-dimethylpiperidin-1-yl)-N-methylacetamide
CID 115873414
1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441954
2-[1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371114
N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 113231239

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide (CID 56501336) is N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide is CN(CCC#N)C(=O)CN1CCCCC1C1OCCO1.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide?
The InChIKey is SYNPAEHVBOVGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-16(7-4-6-15)13(18)11-17-8-3-2-5-12(17)14-19-9-10-20-14/h12,14H,2-5,7-11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide?
N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide has a molecular weight of 281.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 56501336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).