4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide

C30H36N2O3 — CID 45488988

IUPAC4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C30H36N2O3/c1-3-18-31-30(33)25-14-15-28(29(21-25)34-2)35-26-16-19-32(20-17-26)22-27(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,21,26-27H,3,16-20,22H2,1-2H3,(H,31,33)
InChIKeyFGKZQDAJZGRNJH-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.51
Rot. Bonds10

About 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide

4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide (PubChem CID 45488988) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide.

Molecular Properties

Compound Name4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide
PubChem CID45488988
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC Name4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C30H36N2O3/c1-3-18-31-30(33)25-14-15-28(29(21-25)34-2)35-26-16-19-32(20-17-26)22-27(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,21,26-27H,3,16-20,22H2,1-2H3,(H,31,33)
InChIKeyFGKZQDAJZGRNJH-UHFFFAOYSA-N
XLogP5.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 45488408
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480
N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide
CID 45232215
N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482697
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47065905
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide
CID 72928105
4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
CID 78889552
N-[1-[iodo(phenyl)methyl]piperidin-4-yl]-3-methoxy-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 69045688
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 72936788
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide?
The IUPAC name of 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide (CID 45488988) is 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide.
What is the SMILES notation for 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide?
The canonical SMILES for 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide is CCCNC(=O)c1ccc(OC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide?
The InChIKey is FGKZQDAJZGRNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-3-18-31-30(33)25-14-15-28(29(21-25)34-2)35-26-16-19-32(20-17-26)22-27(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,21,26-27H,3,16-20,22H2,1-2H3,(H,31,33).
What are the key properties of 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide?
4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide has a molecular weight of 472.63 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide is sourced from PubChem (CID 45488988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).