N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

C24H32N2O4 — CID 23723951

IUPACN-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(Cc3cc(OC)cc(OC)c3)C2)cc1
InChIInChI=1S/C24H32N2O4/c1-28-21-8-6-18(7-9-21)13-24(27)25-15-19-5-4-10-26(16-19)17-20-11-22(29-2)14-23(12-20)30-3/h6-9,11-12,14,19H,4-5,10,13,15-17H2,1-3H3,(H,25,27)
InChIKeyYRXLBFVAAKEIJO-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.28
Rot. Bonds9

About N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 23723951) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID23723951
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(Cc3cc(OC)cc(OC)c3)C2)cc1
InChIInChI=1S/C24H32N2O4/c1-28-21-8-6-18(7-9-21)13-24(27)25-15-19-5-4-10-26(16-19)17-20-11-22(29-2)14-23(12-20)30-3/h6-9,11-12,14,19H,4-5,10,13,15-17H2,1-3H3,(H,25,27)
InChIKeyYRXLBFVAAKEIJO-UHFFFAOYSA-N
XLogP3.28
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723823
N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723842
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 22115368
2-(4-methoxyphenyl)-N-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]acetamide
CID 25374197
2-(4-methoxyphenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]acetamide
CID 25374202
3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
2-hydroxy-N-[[(3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95209152
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580078
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (CID 23723951) is N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC2CCCN(Cc3cc(OC)cc(OC)c3)C2)cc1.
What is the InChIKey of N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is YRXLBFVAAKEIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-28-21-8-6-18(7-9-21)13-24(27)25-15-19-5-4-10-26(16-19)17-20-11-22(29-2)14-23(12-20)30-3/h6-9,11-12,14,19H,4-5,10,13,15-17H2,1-3H3,(H,25,27).
What are the key properties of N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 412.53 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 23723951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).