N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide

C21H24N2O2S — CID 141241259

IUPACN-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide
SMILESCON(C=O)c1cc2c(s1)CCc1ccccc1C2=C1CCN(C)CC1
InChIInChI=1S/C21H24N2O2S/c1-22-11-9-16(10-12-22)21-17-6-4-3-5-15(17)7-8-19-18(21)13-20(26-19)23(14-24)25-2/h3-6,13-14H,7-12H2,1-2H3
InChIKeyJQNOVKLDNVQNLP-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.90
Rot. Bonds3

About N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide

N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide (PubChem CID 141241259) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide.

Molecular Properties

Compound NameN-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide
PubChem CID141241259
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide
SMILESCON(C=O)c1cc2c(s1)CCc1ccccc1C2=C1CCN(C)CC1
InChIInChI=1S/C21H24N2O2S/c1-22-11-9-16(10-12-22)21-17-6-4-3-5-15(17)7-8-19-18(21)13-20(26-19)23(14-24)25-2/h3-6,13-14H,7-12H2,1-2H3
InChIKeyJQNOVKLDNVQNLP-UHFFFAOYSA-N
XLogP3.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide with MolForge

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Related Compounds

tert-butyl N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]carbamate
CID 68785463
(2-amino-2-oxoethyl) 2-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]acetate
CID 173087477
4-(5-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-1-methylpiperidine
CID 12909393
4-[2-(2-hydroxyethylamino)ethyl]-2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-5-carboxylic acid
CID 68784216
ethyl 2-(1-ethylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-5-carboxylate
CID 71256106
ethyl 2-[1-(2-ethoxyethyl)piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-5-carboxylate
CID 68782716
ethane;1-methyl-4-(2-methyl-6H-benzo[c][1]benzoxepin-11-ylidene)piperidine
CID 90926710
ethyl 2-[1-[2-(2-ethoxy-2-oxoethoxy)ethyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-5-carboxylate;hydrochloride
CID 140559181
2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;hydrobromide
CID 25144537
2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
CID 67755947
4-(2-bromo-4H-thieno[3,2-c][1]benzoxepin-10-ylidene)-1-methylpiperidine;hydrobromide
CID 161222996
2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one nitrate
CID 11639319

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide?
The IUPAC name of N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide (CID 141241259) is N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide.
What is the SMILES notation for N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide?
The canonical SMILES for N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide is CON(C=O)c1cc2c(s1)CCc1ccccc1C2=C1CCN(C)CC1.
What is the InChIKey of N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide?
The InChIKey is JQNOVKLDNVQNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-22-11-9-16(10-12-22)21-17-6-4-3-5-15(17)7-8-19-18(21)13-20(26-19)23(14-24)25-2/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide?
N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide has a molecular weight of 368.50 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-[2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-5-yl]formamide is sourced from PubChem (CID 141241259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).