(6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one

C24H31N5O — CID 145479457

IUPAC(6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one
SMILESCC1CCC/C(N2CCNCC2)=C(/NCc2cccnc2)C(=O)N1c1ccccc1
InChIInChI=1S/C24H31N5O/c1-19-7-5-11-22(28-15-13-25-14-16-28)23(27-18-20-8-6-12-26-17-20)24(30)29(19)21-9-3-2-4-10-21/h2-4,6,8-10,12,17,19,25,27H,5,7,11,13-16,18H2,1H3/b23-22-
InChIKeyOXFPCVFLAFJHSV-FCQUAONHSA-N
MW405.55 g/mol
LogP2.89
Rot. Bonds5

About (6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one

(6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one (PubChem CID 145479457) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is (6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one.

Molecular Properties

Compound Name(6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one
PubChem CID145479457
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name(6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one
SMILESCC1CCC/C(N2CCNCC2)=C(/NCc2cccnc2)C(=O)N1c1ccccc1
InChIInChI=1S/C24H31N5O/c1-19-7-5-11-22(28-15-13-25-14-16-28)23(27-18-20-8-6-12-26-17-20)24(30)29(19)21-9-3-2-4-10-21/h2-4,6,8-10,12,17,19,25,27H,5,7,11,13-16,18H2,1H3/b23-22-
InChIKeyOXFPCVFLAFJHSV-FCQUAONHSA-N
XLogP2.89
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one with MolForge

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Related Compounds

3-(4-phenylpiperazin-1-yl)-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 53369125
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CID 53256527
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
4-methyl-1-pyridin-3-yl-1,5-diazocane;1-pyridin-3-yl-1,5-diazocane
CID 160649448
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 119470768
6-(3-methylpiperidin-1-yl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112854110
N-(pyridin-3-ylmethyl)pyrrolidin-2-amine
CID 90939130
5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide
CID 110607112
N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752244
(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109329891
2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112937236

Frequently Asked Questions

What is the IUPAC name of (6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one?
The IUPAC name of (6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one (CID 145479457) is (6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one.
What is the SMILES notation for (6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one?
The canonical SMILES for (6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one is CC1CCC/C(N2CCNCC2)=C(/NCc2cccnc2)C(=O)N1c1ccccc1.
What is the InChIKey of (6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one?
The InChIKey is OXFPCVFLAFJHSV-FCQUAONHSA-N. The full InChI is InChI=1S/C24H31N5O/c1-19-7-5-11-22(28-15-13-25-14-16-28)23(27-18-20-8-6-12-26-17-20)24(30)29(19)21-9-3-2-4-10-21/h2-4,6,8-10,12,17,19,25,27H,5,7,11,13-16,18H2,1H3/b23-22-.
What are the key properties of (6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one?
(6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one has a molecular weight of 405.55 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-methyl-1-phenyl-6-piperazin-1-yl-7-(pyridin-3-ylmethylamino)-2,3,4,5-tetrahydroazocin-8-one is sourced from PubChem (CID 145479457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).