N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide

C22H29N3O2 — CID 51629082

IUPACN-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCN(CCO)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-23(21(27)18-25-14-12-24(13-15-25)16-17-26)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,22,26H,12-18H2,1H3
InChIKeyCSOPRGWSJLXGOV-UHFFFAOYSA-N
MW367.49 g/mol
LogP1.84
Rot. Bonds7

About N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide

N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 51629082) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
PubChem CID51629082
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCN(CCO)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-23(21(27)18-25-14-12-24(13-15-25)16-17-26)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,22,26H,12-18H2,1H3
InChIKeyCSOPRGWSJLXGOV-UHFFFAOYSA-N
XLogP1.84
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide
CID 55494313
N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide
CID 55988474
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8918958
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 9347790
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid
CID 64565025
N-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9347535
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 3856985
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9348034
2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol
CID 82214228

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide (CID 51629082) is N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide is CN(C(=O)CN1CCN(CCO)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is CSOPRGWSJLXGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-23(21(27)18-25-14-12-24(13-15-25)16-17-26)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,22,26H,12-18H2,1H3.
What are the key properties of N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide?
N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 367.49 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 51629082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).