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

C26H32N2O2 — CID 10525291

IUPACN-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
SMILESO=C(NC1CCN(CC2CCCCC2)CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H32N2O2/c29-26(27-20-14-16-28(17-15-20)18-19-8-2-1-3-9-19)25-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)25/h4-7,10-13,19-20,25H,1-3,8-9,14-18H2,(H,27,29)
InChIKeyQDBACOKTSIEAAJ-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.09
Rot. Bonds4

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

N-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide (PubChem CID 10525291) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
PubChem CID10525291
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
SMILESO=C(NC1CCN(CC2CCCCC2)CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H32N2O2/c29-26(27-20-14-16-28(17-15-20)18-19-8-2-1-3-9-19)25-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)25/h4-7,10-13,19-20,25H,1-3,8-9,14-18H2,(H,27,29)
InChIKeyQDBACOKTSIEAAJ-UHFFFAOYSA-N
XLogP5.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide (CID 10525291) is N-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide is O=C(NC1CCN(CC2CCCCC2)CC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The InChIKey is QDBACOKTSIEAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c29-26(27-20-14-16-28(17-15-20)18-19-8-2-1-3-9-19)25-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)25/h4-7,10-13,19-20,25H,1-3,8-9,14-18H2,(H,27,29).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
N-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide has a molecular weight of 404.55 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 10525291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).