2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide

C24H32N2O3 — CID 45210338

IUPAC2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)N(CCc2ccccc2)CC2CCCN(C)C2)c(OC)c1
InChIInChI=1S/C24H32N2O3/c1-25-14-7-10-20(17-25)18-26(15-13-19-8-5-4-6-9-19)24(27)22-12-11-21(28-2)16-23(22)29-3/h4-6,8-9,11-12,16,20H,7,10,13-15,17-18H2,1-3H3
InChIKeyLCHGPWMREVHUPA-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.73
Rot. Bonds8

About 2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide

2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide (PubChem CID 45210338) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
PubChem CID45210338
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)N(CCc2ccccc2)CC2CCCN(C)C2)c(OC)c1
InChIInChI=1S/C24H32N2O3/c1-25-14-7-10-20(17-25)18-26(15-13-19-8-5-4-6-9-19)24(27)22-12-11-21(28-2)16-23(22)29-3/h4-6,8-9,11-12,16,20H,7,10,13-15,17-18H2,1-3H3
InChIKeyLCHGPWMREVHUPA-UHFFFAOYSA-N
XLogP3.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45211873
N-ethyl-2,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 54790307
2-methoxy-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-N-(2-phenylethyl)acetamide
CID 42152603
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide
CID 42242327
2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 72878220
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
CID 56803297
N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 45197006
2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 42098691
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
4-cyano-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrole-2-carboxamide
CID 72918434
4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 42415674

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide (CID 45210338) is 2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide is COc1ccc(C(=O)N(CCc2ccccc2)CC2CCCN(C)C2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide?
The InChIKey is LCHGPWMREVHUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-25-14-7-10-20(17-25)18-26(15-13-19-8-5-4-6-9-19)24(27)22-12-11-21(28-2)16-23(22)29-3/h4-6,8-9,11-12,16,20H,7,10,13-15,17-18H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide?
2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide has a molecular weight of 396.53 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 45210338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).