2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide

C19H22N4O2 — CID 45206372

IUPAC2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1)NCc1cccnc1
InChIInChI=1S/C19H22N4O2/c24-18(22-13-16-7-4-8-20-12-16)11-17-19(25)21-9-10-23(17)14-15-5-2-1-3-6-15/h1-8,12,17H,9-11,13-14H2,(H,21,25)(H,22,24)
InChIKeyTVNFROIKYFMSIX-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.09
Rot. Bonds6

About 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 45206372) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID45206372
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1)NCc1cccnc1
InChIInChI=1S/C19H22N4O2/c24-18(22-13-16-7-4-8-20-12-16)11-17-19(25)21-9-10-23(17)14-15-5-2-1-3-6-15/h1-8,12,17H,9-11,13-14H2,(H,21,25)(H,22,24)
InChIKeyTVNFROIKYFMSIX-UHFFFAOYSA-N
XLogP1.09
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 45233956
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 26334660
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]acetamide
CID 45186541
2-[(2S)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 25275532
2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide
CID 95729260
2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45192808
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45178129
2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide
CID 56851921
2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45228056
2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42198802
2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42095722
2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
CID 45211424

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 45206372) is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(CC1C(=O)NCCN1Cc1ccccc1)NCc1cccnc1.
What is the InChIKey of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is TVNFROIKYFMSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(22-13-16-7-4-8-20-12-16)11-17-19(25)21-9-10-23(17)14-15-5-2-1-3-6-15/h1-8,12,17H,9-11,13-14H2,(H,21,25)(H,22,24).
What are the key properties of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 45206372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).