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

C24H29ClN2O5 — CID 46295103

IUPACN-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1cc(C(=O)N2CCC(CC(=O)NCc3ccc(Cl)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H29ClN2O5/c1-30-20-13-18(14-21(31-2)23(20)32-3)24(29)27-10-8-16(9-11-27)12-22(28)26-15-17-4-6-19(25)7-5-17/h4-7,13-14,16H,8-12,15H2,1-3H3,(H,26,28)
InChIKeyFZLAXNFNLLNDRA-UHFFFAOYSA-N
MW460.96 g/mol
LogP3.92
Rot. Bonds8

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

N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide (PubChem CID 46295103) has the molecular formula C24H29ClN2O5 and a molecular weight of 460.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
PubChem CID46295103
Molecular FormulaC24H29ClN2O5
Molecular Weight460.96 g/mol
Exact Mass460.18
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1cc(C(=O)N2CCC(CC(=O)NCc3ccc(Cl)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H29ClN2O5/c1-30-20-13-18(14-21(31-2)23(20)32-3)24(29)27-10-8-16(9-11-27)12-22(28)26-15-17-4-6-19(25)7-5-17/h4-7,13-14,16H,8-12,15H2,1-3H3,(H,26,28)
InChIKeyFZLAXNFNLLNDRA-UHFFFAOYSA-N
XLogP3.92
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295099
N-(2-methoxyethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295127
N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295159
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
4-[2-[(4-methylsulfanylphenyl)methylamino]-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057646
(3-chloro-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957621
N-[(4-ethylphenyl)methyl]-2-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 46295096
N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693279
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
2-(1-benzoylpiperidin-4-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 46295005

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide (CID 46295103) is N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide is COc1cc(C(=O)N2CCC(CC(=O)NCc3ccc(Cl)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
The InChIKey is FZLAXNFNLLNDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O5/c1-30-20-13-18(14-21(31-2)23(20)32-3)24(29)27-10-8-16(9-11-27)12-22(28)26-15-17-4-6-19(25)7-5-17/h4-7,13-14,16H,8-12,15H2,1-3H3,(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide has a molecular weight of 460.96 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46295103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).