2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide

C19H28N4O2 — CID 50984132

IUPAC2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1C(=O)NCCN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H28N4O2/c1-20-18(24)13-17-19(25)21-9-12-23(17)16-7-10-22(11-8-16)14-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyQOMWQTXIEBSBEZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.59
Rot. Bonds5

About 2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide

2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 50984132) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID50984132
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1C(=O)NCCN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H28N4O2/c1-20-18(24)13-17-19(25)21-9-12-23(17)16-7-10-22(11-8-16)14-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyQOMWQTXIEBSBEZ-UHFFFAOYSA-N
XLogP0.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
CID 42240993
benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate
CID 42426678
2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 124750646
2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 119074318
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95719696
2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 25375269
2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 16653918
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887158
N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide
CID 95120552
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 45192958
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 95722495
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 56901016

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide (CID 50984132) is 2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide is CNC(=O)CC1C(=O)NCCN1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is QOMWQTXIEBSBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-20-18(24)13-17-19(25)21-9-12-23(17)16-7-10-22(11-8-16)14-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide?
2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 344.46 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 50984132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).