2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide

C19H29N5O2 — CID 118784151

IUPAC2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
SMILESCCN1CCNC(=O)C1CC(=O)NCCc1nc(C)c2c(n1)CCCC2
InChIInChI=1S/C19H29N5O2/c1-3-24-11-10-21-19(26)16(24)12-18(25)20-9-8-17-22-13(2)14-6-4-5-7-15(14)23-17/h16H,3-12H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyBXDBADUFMAPEAK-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.53
Rot. Bonds6

About 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide

2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide (PubChem CID 118784151) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
PubChem CID118784151
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
SMILESCCN1CCNC(=O)C1CC(=O)NCCc1nc(C)c2c(n1)CCCC2
InChIInChI=1S/C19H29N5O2/c1-3-24-11-10-21-19(26)16(24)12-18(25)20-9-8-17-22-13(2)14-6-4-5-7-15(14)23-17/h16H,3-12H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyBXDBADUFMAPEAK-UHFFFAOYSA-N
XLogP0.53
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
CID 56855032
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45244015
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
CID 91834323
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 126433486
(3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97130107
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42403577
2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 136733916
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70760400
2-ethyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 156584807
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126446453
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide
CID 135103186
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91772314

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide (CID 118784151) is 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide is CCN1CCNC(=O)C1CC(=O)NCCc1nc(C)c2c(n1)CCCC2.
What is the InChIKey of 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide?
The InChIKey is BXDBADUFMAPEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-3-24-11-10-21-19(26)16(24)12-18(25)20-9-8-17-22-13(2)14-6-4-5-7-15(14)23-17/h16H,3-12H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide?
2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 118784151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).