2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide

C19H24N6O2 — CID 137255613

IUPAC2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1)Nc1cnn2c1NCCC2
InChIInChI=1S/C19H24N6O2/c26-17(23-15-12-22-25-9-4-7-20-18(15)25)11-16-19(27)21-8-10-24(16)13-14-5-2-1-3-6-14/h1-3,5-6,12,16,20H,4,7-11,13H2,(H,21,27)(H,23,26)
InChIKeySHTKNFJDVSEMPB-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.03
Rot. Bonds5

About 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide

2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide (PubChem CID 137255613) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide
PubChem CID137255613
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1)Nc1cnn2c1NCCC2
InChIInChI=1S/C19H24N6O2/c26-17(23-15-12-22-25-9-4-7-20-18(15)25)11-16-19(27)21-8-10-24(16)13-14-5-2-1-3-6-14/h1-3,5-6,12,16,20H,4,7-11,13H2,(H,21,27)(H,23,26)
InChIKeySHTKNFJDVSEMPB-UHFFFAOYSA-N
XLogP1.03
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 131948945
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 26334660
2-[(2S)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 25275532
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 126454443
2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 124750646
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 95722495
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 95149181
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide
CID 46970496
ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 26319974

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide?
The IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide (CID 137255613) is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide is O=C(CC1C(=O)NCCN1Cc1ccccc1)Nc1cnn2c1NCCC2.
What is the InChIKey of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide?
The InChIKey is SHTKNFJDVSEMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-17(23-15-12-22-25-9-4-7-20-18(15)25)11-16-19(27)21-8-10-24(16)13-14-5-2-1-3-6-14/h1-3,5-6,12,16,20H,4,7-11,13H2,(H,21,27)(H,23,26).
What are the key properties of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide?
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 137255613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).