N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide

C28H36N2O2 — CID 10765199

IUPACN-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
SMILESO=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C28H36N2O2/c31-28(27-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)27)29-22-16-18-30(19-17-22)20-21-10-4-2-1-3-5-11-21/h6-9,12-15,21-22,27H,1-5,10-11,16-20H2,(H,29,31)
InChIKeyOCSQKSSLYYSHOM-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.87
Rot. Bonds4

About N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide

N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide (PubChem CID 10765199) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
PubChem CID10765199
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC NameN-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
SMILESO=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C28H36N2O2/c31-28(27-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)27)29-22-16-18-30(19-17-22)20-21-10-4-2-1-3-5-11-21/h6-9,12-15,21-22,27H,1-5,10-11,16-20H2,(H,29,31)
InChIKeyOCSQKSSLYYSHOM-UHFFFAOYSA-N
XLogP5.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide (CID 10765199) is N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide is O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The InChIKey is OCSQKSSLYYSHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c31-28(27-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)27)29-22-16-18-30(19-17-22)20-21-10-4-2-1-3-5-11-21/h6-9,12-15,21-22,27H,1-5,10-11,16-20H2,(H,29,31).
What are the key properties of N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
N-[1-(cyclooctylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide has a molecular weight of 432.61 g/mol, XLogP of 5.87, 4 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]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 10765199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).