2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C21H29N5O2 — CID 126914968

IUPAC2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1c(CN2CCN(CCn3nc4c(cc3=O)CCCC4)CC2)cccc1=O
InChIInChI=1S/C21H29N5O2/c1-23-18(6-4-8-20(23)27)16-25-11-9-24(10-12-25)13-14-26-21(28)15-17-5-2-3-7-19(17)22-26/h4,6,8,15H,2-3,5,7,9-14,16H2,1H3
InChIKeyXJRIHABEGKNKIN-UHFFFAOYSA-N
MW383.50 g/mol
LogP0.64
Rot. Bonds5

About 2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126914968) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126914968
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1c(CN2CCN(CCn3nc4c(cc3=O)CCCC4)CC2)cccc1=O
InChIInChI=1S/C21H29N5O2/c1-23-18(6-4-8-20(23)27)16-25-11-9-24(10-12-25)13-14-26-21(28)15-17-5-2-3-7-19(17)22-26/h4,6,8,15H,2-3,5,7,9-14,16H2,1H3
InChIKeyXJRIHABEGKNKIN-UHFFFAOYSA-N
XLogP0.64
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[2-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915161
4-[[4-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 126914888
2-[2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915027
2-[2-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914572
2-[2-[4-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915022
2-[2-[4-[(3-cyclopropylimidazol-4-yl)methyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914611
2-[2-[4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914958
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 139680137
2-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914877
2-[2-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915147
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915041
2-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915121

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126914968) is 2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cn1c(CN2CCN(CCn3nc4c(cc3=O)CCCC4)CC2)cccc1=O.
What is the InChIKey of 2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is XJRIHABEGKNKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-23-18(6-4-8-20(23)27)16-25-11-9-24(10-12-25)13-14-26-21(28)15-17-5-2-3-7-19(17)22-26/h4,6,8,15H,2-3,5,7,9-14,16H2,1H3.
What are the key properties of 2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 383.50 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126914968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).