N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide

C18H26N4O2 — CID 95308677

IUPACN-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide
SMILESCN(CCC#N)C(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H26N4O2/c1-20(9-5-8-19)18(24)15-22-12-10-21(11-13-22)14-17(23)16-6-3-2-4-7-16/h2-4,6-7,17,23H,5,9-15H2,1H3/t17-/m0/s1
InChIKeyAIFJDYTUUNCFHQ-KRWDZBQOSA-N
MW330.43 g/mol
LogP0.71
Rot. Bonds7

About N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide

N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 95308677) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide
PubChem CID95308677
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide
SMILESCN(CCC#N)C(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H26N4O2/c1-20(9-5-8-19)18(24)15-22-12-10-21(11-13-22)14-17(23)16-6-3-2-4-7-16/h2-4,6-7,17,23H,5,9-15H2,1H3/t17-/m0/s1
InChIKeyAIFJDYTUUNCFHQ-KRWDZBQOSA-N
XLogP0.71
TPSA70.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethanol
CID 223284
2-amino-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 1512505
N-(2-Hydroxy-1-methyl-2-phenylethyl)-N-methylacetamide
CID 27869
Ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate;oxalic acid
CID 16196808
2-Fluoro-N-((1S,2S)-2-hydroxy-1-methyl-2-phenylethyl)-N-methylacetamide
CID 11790868
N-Acetyl-(+)-Pseudoephedrine
CID 11344789
2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 24761775
(2R)-2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpent-4-enamide
CID 394809
2-[4-(2-Hydroxy-2-phenylethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 15592154
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide
CID 22769471
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 44271058
[4-(2-Hydroxy-2-phenylethyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 45865625

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide (CID 95308677) is N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide is CN(CCC#N)C(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is AIFJDYTUUNCFHQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-20(9-5-8-19)18(24)15-22-12-10-21(11-13-22)14-17(23)16-6-3-2-4-7-16/h2-4,6-7,17,23H,5,9-15H2,1H3/t17-/m0/s1.
What are the key properties of N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide?
N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 330.43 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 95308677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).