N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide

C12H21N3O2 — CID 110897527

IUPACN-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESCCN(CCC#N)C(=O)CN1CCCC(O)C1
InChIInChI=1S/C12H21N3O2/c1-2-15(8-4-6-13)12(17)10-14-7-3-5-11(16)9-14/h11,16H,2-5,7-10H2,1H3
InChIKeyQFHVWALOZMDGGS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.21
Rot. Bonds5

About N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide

N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide (PubChem CID 110897527) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide
PubChem CID110897527
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESCCN(CCC#N)C(=O)CN1CCCC(O)C1
InChIInChI=1S/C12H21N3O2/c1-2-15(8-4-6-13)12(17)10-14-7-3-5-11(16)9-14/h11,16H,2-5,7-10H2,1H3
InChIKeyQFHVWALOZMDGGS-UHFFFAOYSA-N
XLogP0.21
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899377
N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide
CID 166211933
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N,N-bis(2-cyanoethyl)acetamide
CID 95337438
2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 107225809
N,N-dicyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 94191195
N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 62022097
N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 43214011
2-[(3R,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(2-cyanoethyl)-N-ethylacetamide
CID 100837840
N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 113231239
N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 119041162
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide (CID 110897527) is N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide is CCN(CCC#N)C(=O)CN1CCCC(O)C1.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide?
The InChIKey is QFHVWALOZMDGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-15(8-4-6-13)12(17)10-14-7-3-5-11(16)9-14/h11,16H,2-5,7-10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide?
N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 110897527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).