3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide

C24H32N2O3 — CID 122194375

IUPAC3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1OC
InChIInChI=1S/C24H32N2O3/c1-26-15-13-24(14-16-26,20-7-5-4-6-8-20)18-25-23(27)12-10-19-9-11-21(28-2)22(17-19)29-3/h4-9,11,17H,10,12-16,18H2,1-3H3,(H,25,27)
InChIKeyGXZBAYCWADAORP-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.42
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide (PubChem CID 122194375) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
PubChem CID122194375
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1OC
InChIInChI=1S/C24H32N2O3/c1-26-15-13-24(14-16-26,20-7-5-4-6-8-20)18-25-23(27)12-10-19-9-11-21(28-2)22(17-19)29-3/h4-9,11,17H,10,12-16,18H2,1-3H3,(H,25,27)
InChIKeyGXZBAYCWADAORP-UHFFFAOYSA-N
XLogP3.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 113090680
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370
3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
CID 51264432
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 39963411
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 55518785
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 37259435
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide
CID 46568284
2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505047

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide (CID 122194375) is 3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide is COc1ccc(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide?
The InChIKey is GXZBAYCWADAORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-26-15-13-24(14-16-26,20-7-5-4-6-8-20)18-25-23(27)12-10-19-9-11-21(28-2)22(17-19)29-3/h4-9,11,17H,10,12-16,18H2,1-3H3,(H,25,27).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide has a molecular weight of 396.53 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 122194375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).