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

C21H31N5O2 — CID 56855032

IUPAC2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)CC2C(=O)NCCN2C2CCCC2)nc2c1CCCC2
InChIInChI=1S/C21H31N5O2/c1-14-16-8-4-5-9-17(16)25-19(24-14)13-23-20(27)12-18-21(28)22-10-11-26(18)15-6-2-3-7-15/h15,18H,2-13H2,1H3,(H,22,28)(H,23,27)
InChIKeyQJBAFUZSOPNTTL-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.41
Rot. Bonds5

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

2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide (PubChem CID 56855032) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
PubChem CID56855032
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)CC2C(=O)NCCN2C2CCCC2)nc2c1CCCC2
InChIInChI=1S/C21H31N5O2/c1-14-16-8-4-5-9-17(16)25-19(24-14)13-23-20(27)12-18-21(28)22-10-11-26(18)15-6-2-3-7-15/h15,18H,2-13H2,1H3,(H,22,28)(H,23,27)
InChIKeyQJBAFUZSOPNTTL-UHFFFAOYSA-N
XLogP1.41
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(1-ethyl-3-oxopiperazin-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
CID 118784151
2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 42557154
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 45170388
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 45192958
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide
CID 97130347
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 45196144
2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide
CID 95716394
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126448514
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24791261
2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 42518471
2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 42518473
N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide
CID 45225436

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide (CID 56855032) is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide is Cc1nc(CNC(=O)CC2C(=O)NCCN2C2CCCC2)nc2c1CCCC2.
What is the InChIKey of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide?
The InChIKey is QJBAFUZSOPNTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-14-16-8-4-5-9-17(16)25-19(24-14)13-23-20(27)12-18-21(28)22-10-11-26(18)15-6-2-3-7-15/h15,18H,2-13H2,1H3,(H,22,28)(H,23,27).
What are the key properties of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide?
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 56855032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).