N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide

C23H35N3O2 — CID 55478417

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide
SMILESCCOc1ccc(CCC2CCN(CC(=O)NC(C)(C#N)C(C)C)CC2)cc1
InChIInChI=1S/C23H35N3O2/c1-5-28-21-10-8-19(9-11-21)6-7-20-12-14-26(15-13-20)16-22(27)25-23(4,17-24)18(2)3/h8-11,18,20H,5-7,12-16H2,1-4H3,(H,25,27)
InChIKeyVLXRGFWQQPXSAD-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.78
Rot. Bonds9

About N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide (PubChem CID 55478417) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide
PubChem CID55478417
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide
SMILESCCOc1ccc(CCC2CCN(CC(=O)NC(C)(C#N)C(C)C)CC2)cc1
InChIInChI=1S/C23H35N3O2/c1-5-28-21-10-8-19(9-11-21)6-7-20-12-14-26(15-13-20)16-22(27)25-23(4,17-24)18(2)3/h8-11,18,20H,5-7,12-16H2,1-4H3,(H,25,27)
InChIKeyVLXRGFWQQPXSAD-UHFFFAOYSA-N
XLogP3.78
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]acetamide
CID 52523327
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 78877421
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 18142778
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 18226789
N-(2-cyano-3-methylbutan-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 63365075
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681261
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51287537
tert-butyl 4-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 52544737
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 51227036
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 78611022
4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one
CID 120559552
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55476136

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide (CID 55478417) is N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide is CCOc1ccc(CCC2CCN(CC(=O)NC(C)(C#N)C(C)C)CC2)cc1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide?
The InChIKey is VLXRGFWQQPXSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-5-28-21-10-8-19(9-11-21)6-7-20-12-14-26(15-13-20)16-22(27)25-23(4,17-24)18(2)3/h8-11,18,20H,5-7,12-16H2,1-4H3,(H,25,27).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide has a molecular weight of 385.55 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 55478417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).