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

C16H25N3O2 — CID 60645191

IUPACN-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C16H25N3O2/c1-17(13-15-5-3-2-4-6-15)16(21)14-19-9-7-18(8-10-19)11-12-20/h2-6,20H,7-14H2,1H3
InChIKeyGKPFKIYAYKEVKP-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.25
Rot. Bonds6

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

N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 60645191) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
PubChem CID60645191
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C16H25N3O2/c1-17(13-15-5-3-2-4-6-15)16(21)14-19-9-7-18(8-10-19)11-12-20/h2-6,20H,7-14H2,1H3
InChIKeyGKPFKIYAYKEVKP-UHFFFAOYSA-N
XLogP0.25
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407
N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 51629082
N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63873691
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657
N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
CID 56802282
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119917902
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8743401
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 32574099
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544482
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide
CID 81452559

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide (CID 60645191) is N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN1CCN(CCO)CC1.
What is the InChIKey of N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is GKPFKIYAYKEVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-17(13-15-5-3-2-4-6-15)16(21)14-19-9-7-18(8-10-19)11-12-20/h2-6,20H,7-14H2,1H3.
What are the key properties of N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide?
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 291.39 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 60645191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).