N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide

C25H34N2O2 — CID 44578637

IUPACN-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)NC4CCCCC4)ccc3c2)CC1
InChIInChI=1S/C25H34N2O2/c1-18(2)27-14-12-23(13-15-27)29-24-11-10-19-16-21(9-8-20(19)17-24)25(28)26-22-6-4-3-5-7-22/h8-11,16-18,22-23H,3-7,12-15H2,1-2H3,(H,26,28)
InChIKeyCUPKCDUMNJWBHZ-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.15
Rot. Bonds5

About N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide

N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide (PubChem CID 44578637) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
PubChem CID44578637
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)NC4CCCCC4)ccc3c2)CC1
InChIInChI=1S/C25H34N2O2/c1-18(2)27-14-12-23(13-15-27)29-24-11-10-19-16-21(9-8-20(19)17-24)25(28)26-22-6-4-3-5-7-22/h8-11,16-18,22-23H,3-7,12-15H2,1-2H3,(H,26,28)
InChIKeyCUPKCDUMNJWBHZ-UHFFFAOYSA-N
XLogP5.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide?
The IUPAC name of N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide (CID 44578637) is N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide is CC(C)N1CCC(Oc2ccc3cc(C(=O)NC4CCCCC4)ccc3c2)CC1.
What is the InChIKey of N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide?
The InChIKey is CUPKCDUMNJWBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-18(2)27-14-12-23(13-15-27)29-24-11-10-19-16-21(9-8-20(19)17-24)25(28)26-22-6-4-3-5-7-22/h8-11,16-18,22-23H,3-7,12-15H2,1-2H3,(H,26,28).
What are the key properties of N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide?
N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide is sourced from PubChem (CID 44578637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).