N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide

C32H40N2O2 — CID 23283049

IUPACN-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide
SMILESC=Cc1ccc2c(c1)C(C(=O)NC1CCN(CC3CCCCCCC3)CC1)c1cc(C=C)ccc1O2
InChIInChI=1S/C32H40N2O2/c1-3-23-12-14-29-27(20-23)31(28-21-24(4-2)13-15-30(28)36-29)32(35)33-26-16-18-34(19-17-26)22-25-10-8-6-5-7-9-11-25/h3-4,12-15,20-21,25-26,31H,1-2,5-11,16-19,22H2,(H,33,35)
InChIKeyKGQIIELBRXDGBA-UHFFFAOYSA-N
MW484.68 g/mol
LogP7.15
Rot. Bonds6

About N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide

N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide (PubChem CID 23283049) has the molecular formula C32H40N2O2 and a molecular weight of 484.68 g/mol. Its IUPAC name is N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide
PubChem CID23283049
Molecular FormulaC32H40N2O2
Molecular Weight484.68 g/mol
Exact Mass484.31
IUPAC NameN-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide
SMILESC=Cc1ccc2c(c1)C(C(=O)NC1CCN(CC3CCCCCCC3)CC1)c1cc(C=C)ccc1O2
InChIInChI=1S/C32H40N2O2/c1-3-23-12-14-29-27(20-23)31(28-21-24(4-2)13-15-30(28)36-29)32(35)33-26-16-18-34(19-17-26)22-25-10-8-6-5-7-9-11-25/h3-4,12-15,20-21,25-26,31H,1-2,5-11,16-19,22H2,(H,33,35)
InChIKeyKGQIIELBRXDGBA-UHFFFAOYSA-N
XLogP7.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.68
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide with MolForge

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Related Compounds

methyl 9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-9H-xanthene-2-carboxylate
CID 23283036
2,7-dibromo-N-[1-(cyclooctylmethyl)piperidin-4-yl]-9-iodoxanthene-9-carboxamide
CID 70341930
N-cyclohexyl-9H-xanthene-9-carboxamide
CID 718107
dimethyl 9-[[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2,7-dicarboxylate iodide
CID 23282962
prop-2-enyl N-[9-[[1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-yl]carbamoyl]-9H-xanthen-2-yl]carbamate
CID 139917008
(Z)-3-(3-chloro-4-methylphenyl)-N-[1-(cyclopentylmethyl)piperidin-4-yl]prop-2-enamide
CID 97456591
2-(4-aminopiperidine-1-carbonyl)-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
CID 70133703
6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 126767232
N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-3,6-dimethyl-9H-xanthene-9-carboxamide iodide
CID 23282969
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60601133
2-N-benzyl-9-N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-2,9-dicarboxamide
CID 23283060
N-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-2-(piperidin-4-ylcarbamoylamino)-9H-xanthene-9-carboxamide
CID 139917007

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide (CID 23283049) is N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide is C=Cc1ccc2c(c1)C(C(=O)NC1CCN(CC3CCCCCCC3)CC1)c1cc(C=C)ccc1O2.
What is the InChIKey of N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide?
The InChIKey is KGQIIELBRXDGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O2/c1-3-23-12-14-29-27(20-23)31(28-21-24(4-2)13-15-30(28)36-29)32(35)33-26-16-18-34(19-17-26)22-25-10-8-6-5-7-9-11-25/h3-4,12-15,20-21,25-26,31H,1-2,5-11,16-19,22H2,(H,33,35).
What are the key properties of N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide?
N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide has a molecular weight of 484.68 g/mol, XLogP of 7.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclooctylmethyl)piperidin-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 23283049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).