4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide

C21H24N4O2 — CID 167778025

IUPAC4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
SMILESO=C1CN(Cc2ccc(C(=O)NC3CNc4ccccc4C3)cc2)CCN1
InChIInChI=1S/C21H24N4O2/c26-20-14-25(10-9-22-20)13-15-5-7-16(8-6-15)21(27)24-18-11-17-3-1-2-4-19(17)23-12-18/h1-8,18,23H,9-14H2,(H,22,26)(H,24,27)
InChIKeyOKQCIJQWDNFHCR-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.38
Rot. Bonds4

About 4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide

4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide (PubChem CID 167778025) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide.

Molecular Properties

Compound Name4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
PubChem CID167778025
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
SMILESO=C1CN(Cc2ccc(C(=O)NC3CNc4ccccc4C3)cc2)CCN1
InChIInChI=1S/C21H24N4O2/c26-20-14-25(10-9-22-20)13-15-5-7-16(8-6-15)21(27)24-18-11-17-3-1-2-4-19(17)23-12-18/h1-8,18,23H,9-14H2,(H,22,26)(H,24,27)
InChIKeyOKQCIJQWDNFHCR-UHFFFAOYSA-N
XLogP1.38
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 43823004
N-(1,2,3,4-tetrahydroquinolin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43823005
3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 18070930
2-[4-[(3-oxopiperazin-1-yl)methyl]phenyl]benzoic acid
CID 110097407
4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68738531
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 106500916
ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
CID 19697803
3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 56933015
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
methyl 2-oxo-3-[N-[4-[(3-oxopiperazin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindole-6-carboxylate
CID 91168794
4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 11751130
methyl 4-[(5-oxo-1,4-diazepan-1-yl)methyl]benzoate
CID 60711017

Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide?
The IUPAC name of 4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide (CID 167778025) is 4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide.
What is the SMILES notation for 4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide?
The canonical SMILES for 4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide is O=C1CN(Cc2ccc(C(=O)NC3CNc4ccccc4C3)cc2)CCN1.
What is the InChIKey of 4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide?
The InChIKey is OKQCIJQWDNFHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20-14-25(10-9-22-20)13-15-5-7-16(8-6-15)21(27)24-18-11-17-3-1-2-4-19(17)23-12-18/h1-8,18,23H,9-14H2,(H,22,26)(H,24,27).
What are the key properties of 4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide?
4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide is sourced from PubChem (CID 167778025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).