2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide

C33H42N2O3 — CID 23108985

IUPAC2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C3CCN(CC(C)CC(C)c4ccccc4)CC3)c2)c(OC)c1
InChIInChI=1S/C33H42N2O3/c1-24(19-25(2)27-10-6-5-7-11-27)23-35-17-15-28(16-18-35)29-12-8-9-26(20-29)22-34-33(36)31-14-13-30(37-3)21-32(31)38-4/h5-14,20-21,24-25,28H,15-19,22-23H2,1-4H3,(H,34,36)
InChIKeyNZEIFWADIMUFRP-UHFFFAOYSA-N
MW514.71 g/mol
LogP6.64
Rot. Bonds11

About 2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide

2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide (PubChem CID 23108985) has the molecular formula C33H42N2O3 and a molecular weight of 514.71 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide
PubChem CID23108985
Molecular FormulaC33H42N2O3
Molecular Weight514.71 g/mol
Exact Mass514.32
IUPAC Name2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C3CCN(CC(C)CC(C)c4ccccc4)CC3)c2)c(OC)c1
InChIInChI=1S/C33H42N2O3/c1-24(19-25(2)27-10-6-5-7-11-27)23-35-17-15-28(16-18-35)29-12-8-9-26(20-29)22-34-33(36)31-14-13-30(37-3)21-32(31)38-4/h5-14,20-21,24-25,28H,15-19,22-23H2,1-4H3,(H,34,36)
InChIKeyNZEIFWADIMUFRP-UHFFFAOYSA-N
XLogP6.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 61018179
N-[[3-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 23108698
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999
4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
CID 23108835
N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
CID 3662059
2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 86981629
N-[3-[1-[4-(2,4-dimethoxyphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048684
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95311777
N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 1064743
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide (CID 23108985) is 2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccc(C3CCN(CC(C)CC(C)c4ccccc4)CC3)c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide?
The InChIKey is NZEIFWADIMUFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N2O3/c1-24(19-25(2)27-10-6-5-7-11-27)23-35-17-15-28(16-18-35)29-12-8-9-26(20-29)22-34-33(36)31-14-13-30(37-3)21-32(31)38-4/h5-14,20-21,24-25,28H,15-19,22-23H2,1-4H3,(H,34,36).
What are the key properties of 2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide?
2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide has a molecular weight of 514.71 g/mol, XLogP of 6.64, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[[3-[1-(2-methyl-4-phenylpentyl)piperidin-4-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 23108985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).