7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone

C18H26N2O — CID 114498711

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)C2Cc3ccccc32)CC1C
InChIInChI=1S/C18H26N2O/c1-3-9-19-17-8-10-20(12-13(17)2)18(21)16-11-14-6-4-5-7-15(14)16/h4-7,13,16-17,19H,3,8-12H2,1-2H3
InChIKeySPCBEHFJWJNDHZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.56
Rot. Bonds4

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone

7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone (PubChem CID 114498711) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
PubChem CID114498711
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)C2Cc3ccccc32)CC1C
InChIInChI=1S/C18H26N2O/c1-3-9-19-17-8-10-20(12-13(17)2)18(21)16-11-14-6-4-5-7-15(14)16/h4-7,13,16-17,19H,3,8-12H2,1-2H3
InChIKeySPCBEHFJWJNDHZ-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
CID 114498596
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66395557
[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114498726
(3-methyloxolan-2-yl)-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498603
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546555
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580377
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839103
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80677432
3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 114498803
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114501421
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 114678463
2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114498667

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone (CID 114498711) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone is CCCNC1CCN(C(=O)C2Cc3ccccc32)CC1C.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone?
The InChIKey is SPCBEHFJWJNDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-9-19-17-8-10-20(12-13(17)2)18(21)16-11-14-6-4-5-7-15(14)16/h4-7,13,16-17,19H,3,8-12H2,1-2H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 114498711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).