4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide

C32H40N2O4 — CID 59223755

IUPAC4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(OC)c(OCCCOC)c1)C1CNCC[C@@H]1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C32H40N2O4/c1-4-18-34(32(35)27-14-15-30(37-3)31(22-27)38-20-9-19-36-2)29-23-33-17-16-28(29)26-13-8-12-25(21-26)24-10-6-5-7-11-24/h5-8,10-15,21-22,28-29,33H,4,9,16-20,23H2,1-3H3/t28-,29?/m1/s1
InChIKeyLYFAIJLMCPUJHE-FICMROCWSA-N
MW516.68 g/mol
LogP5.78
Rot. Bonds12

About 4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide

4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide (PubChem CID 59223755) has the molecular formula C32H40N2O4 and a molecular weight of 516.68 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide
PubChem CID59223755
Molecular FormulaC32H40N2O4
Molecular Weight516.68 g/mol
Exact Mass516.30
IUPAC Name4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(OC)c(OCCCOC)c1)C1CNCC[C@@H]1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C32H40N2O4/c1-4-18-34(32(35)27-14-15-30(37-3)31(22-27)38-20-9-19-36-2)29-23-33-17-16-28(29)26-13-8-12-25(21-26)24-10-6-5-7-11-24/h5-8,10-15,21-22,28-29,33H,4,9,16-20,23H2,1-3H3/t28-,29?/m1/s1
InChIKeyLYFAIJLMCPUJHE-FICMROCWSA-N
XLogP5.78
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.68
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]benzamide;hydrochloride
CID 161470422
4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide
CID 70910455
N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 59224139
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-cyclopropyl-4-methoxy-3-(3-methoxypropoxy)benzamide
CID 11561524
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
CID 143294968
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
CID 119825767
4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine
CID 143248741
N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-cyclobutyl-4-methoxy-3-(3-methoxypropoxy)benzamide;hydrochloride
CID 160780822
4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide;1-methoxypropylbenzene;N-pyrrolidin-3-ylformamide
CID 143248726
4-methoxy-3-(3-methoxypropoxy)-N-[(3R,5S)-5-[(3-phenylphenoxy)methyl]piperidin-3-yl]-N-propan-2-ylbenzamide;hydrochloride
CID 68662135
N-[[(3S,4S)-4-[benzylsulfonyl(methyl)amino]pyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 59272020

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide?
The IUPAC name of 4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide (CID 59223755) is 4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide is CCCN(C(=O)c1ccc(OC)c(OCCCOC)c1)C1CNCC[C@@H]1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide?
The InChIKey is LYFAIJLMCPUJHE-FICMROCWSA-N. The full InChI is InChI=1S/C32H40N2O4/c1-4-18-34(32(35)27-14-15-30(37-3)31(22-27)38-20-9-19-36-2)29-23-33-17-16-28(29)26-13-8-12-25(21-26)24-10-6-5-7-11-24/h5-8,10-15,21-22,28-29,33H,4,9,16-20,23H2,1-3H3/t28-,29?/m1/s1.
What are the key properties of 4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide?
4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide has a molecular weight of 516.68 g/mol, XLogP of 5.78, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide is sourced from PubChem (CID 59223755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).