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

C26H34N2O7 — CID 46295159

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(CNC(=O)CC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1
InChIInChI=1S/C26H34N2O7/c1-31-20-7-6-18(21(15-20)32-2)16-27-24(29)12-17-8-10-28(11-9-17)26(30)19-13-22(33-3)25(35-5)23(14-19)34-4/h6-7,13-15,17H,8-12,16H2,1-5H3,(H,27,29)
InChIKeyBNEPCKKNNMNSIU-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.29
Rot. Bonds10

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

N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide (PubChem CID 46295159) has the molecular formula C26H34N2O7 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
PubChem CID46295159
Molecular FormulaC26H34N2O7
Molecular Weight486.57 g/mol
Exact Mass486.24
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(CNC(=O)CC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1
InChIInChI=1S/C26H34N2O7/c1-31-20-7-6-18(21(15-20)32-2)16-27-24(29)12-17-8-10-28(11-9-17)26(30)19-13-22(33-3)25(35-5)23(14-19)34-4/h6-7,13-15,17H,8-12,16H2,1-5H3,(H,27,29)
InChIKeyBNEPCKKNNMNSIU-UHFFFAOYSA-N
XLogP3.29
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 50816995
N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295103
4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 52998803
N-(2-methoxyethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295127
N-[(2,4-dimethoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 63362840
N-(pyridin-3-ylmethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295099
N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295149
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 92866879
N-[(2,4-dimethoxyphenyl)methyl]-3,4,5-trimethoxybenzenecarbothioamide
CID 87720762
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 91906458
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide (CID 46295159) is N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide is COc1ccc(CNC(=O)CC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
The InChIKey is BNEPCKKNNMNSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O7/c1-31-20-7-6-18(21(15-20)32-2)16-27-24(29)12-17-8-10-28(11-9-17)26(30)19-13-22(33-3)25(35-5)23(14-19)34-4/h6-7,13-15,17H,8-12,16H2,1-5H3,(H,27,29).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide has a molecular weight of 486.57 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46295159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).