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

C30H40N2O2 — CID 10695296

IUPACN-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
SMILESO=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C30H40N2O2/c33-30(29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29)31-24-18-20-32(21-19-24)22-23-12-6-4-2-1-3-5-7-13-23/h8-11,14-17,23-24,29H,1-7,12-13,18-22H2,(H,31,33)
InChIKeyKELZXWMCYLASJE-UHFFFAOYSA-N
MW460.66 g/mol
LogP6.65
Rot. Bonds4

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

N-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide (PubChem CID 10695296) has the molecular formula C30H40N2O2 and a molecular weight of 460.66 g/mol. Its IUPAC name is N-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
PubChem CID10695296
Molecular FormulaC30H40N2O2
Molecular Weight460.66 g/mol
Exact Mass460.31
IUPAC NameN-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
SMILESO=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C30H40N2O2/c33-30(29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29)31-24-18-20-32(21-19-24)22-23-12-6-4-2-1-3-5-7-13-23/h8-11,14-17,23-24,29H,1-7,12-13,18-22H2,(H,31,33)
InChIKeyKELZXWMCYLASJE-UHFFFAOYSA-N
XLogP6.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.66
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide (CID 10695296) is N-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide is O=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
The InChIKey is KELZXWMCYLASJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O2/c33-30(29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29)31-24-18-20-32(21-19-24)22-23-12-6-4-2-1-3-5-7-13-23/h8-11,14-17,23-24,29H,1-7,12-13,18-22H2,(H,31,33).
What are the key properties of N-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide?
N-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide has a molecular weight of 460.66 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclodecylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 10695296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).