4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide

C30H36N2O4 — CID 91359232

IUPAC4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide
SMILESCCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccccc4OC)cc3)cc2C)CC1
InChIInChI=1S/C30H36N2O4/c1-4-5-18-32-19-16-26(17-20-32)35-27-15-10-23(21-22(27)2)30(33)31-24-11-13-25(14-12-24)36-29-9-7-6-8-28(29)34-3/h6-15,21,26H,4-5,16-20H2,1-3H3,(H,31,33)
InChIKeyHVYCIRKVCOIANC-UHFFFAOYSA-N
MW488.63 g/mol
LogP6.69
Rot. Bonds10

About 4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide

4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide (PubChem CID 91359232) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is 4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide
PubChem CID91359232
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC Name4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide
SMILESCCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccccc4OC)cc3)cc2C)CC1
InChIInChI=1S/C30H36N2O4/c1-4-5-18-32-19-16-26(17-20-32)35-27-15-10-23(21-22(27)2)30(33)31-24-11-13-25(14-12-24)36-29-9-7-6-8-28(29)34-3/h6-15,21,26H,4-5,16-20H2,1-3H3,(H,31,33)
InChIKeyHVYCIRKVCOIANC-UHFFFAOYSA-N
XLogP6.69
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-(2-methoxy-4-nitrophenoxy)phenyl]-3-methylbenzamide
CID 68969305
4-[2-(1-butylpiperidin-4-yl)oxyethyl]-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide
CID 91001282
4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide
CID 69143674
4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide
CID 68967061
4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063067
4-(1-benzylpiperidin-4-yl)oxy-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 68965748
4-(1-butan-2-ylpiperidin-4-yl)oxy-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxybenzamide
CID 87721218
N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 69143425
N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 27901826
4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide
CID 87721208
4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide
CID 56700231
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302

Frequently Asked Questions

What is the IUPAC name of 4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide?
The IUPAC name of 4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide (CID 91359232) is 4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide.
What is the SMILES notation for 4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide?
The canonical SMILES for 4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide is CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccccc4OC)cc3)cc2C)CC1.
What is the InChIKey of 4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide?
The InChIKey is HVYCIRKVCOIANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-4-5-18-32-19-16-26(17-20-32)35-27-15-10-23(21-22(27)2)30(33)31-24-11-13-25(14-12-24)36-29-9-7-6-8-28(29)34-3/h6-15,21,26H,4-5,16-20H2,1-3H3,(H,31,33).
What are the key properties of 4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide?
4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide has a molecular weight of 488.63 g/mol, XLogP of 6.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide is sourced from PubChem (CID 91359232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).