N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

C13H23N3O2 — CID 110899377

IUPACN-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCCN(CCC#N)C(=O)CN1CCC(CO)CC1
InChIInChI=1S/C13H23N3O2/c1-2-16(7-3-6-14)13(18)10-15-8-4-12(11-17)5-9-15/h12,17H,2-5,7-11H2,1H3
InChIKeyPLHKGTSFYOIESG-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.45
Rot. Bonds6

About N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 110899377) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID110899377
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCCN(CCC#N)C(=O)CN1CCC(CO)CC1
InChIInChI=1S/C13H23N3O2/c1-2-16(7-3-6-14)13(18)10-15-8-4-12(11-17)5-9-15/h12,17H,2-5,7-11H2,1H3
InChIKeyPLHKGTSFYOIESG-UHFFFAOYSA-N
XLogP0.45
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899386
N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110897527
N-[(2S)-2-cyanopropyl]-N-ethyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 98850108
2-(4-aminopiperidin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 79327859
N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide
CID 166211933
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N,N-bis(2-cyanoethyl)acetamide
CID 55446127
N,N-bis(2-cyanoethyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 55446481
2-[(3R,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(2-cyanoethyl)-N-ethylacetamide
CID 100837840
N-butyl-2-[4-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 121200050
N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249005
N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834055
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (CID 110899377) is N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is CCN(CCC#N)C(=O)CN1CCC(CO)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is PLHKGTSFYOIESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-16(7-3-6-14)13(18)10-15-8-4-12(11-17)5-9-15/h12,17H,2-5,7-11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 253.35 g/mol, XLogP of 0.45, 6 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-[4-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 110899377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).