N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

C23H36N4O4 — CID 24534606

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(CN(C)C(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c1OC
InChIInChI=1S/C23H36N4O4/c1-24(16-19-8-7-9-20(30-2)23(19)31-3)21(28)17-25-12-14-26(15-13-25)18-22(29)27-10-5-4-6-11-27/h7-9H,4-6,10-18H2,1-3H3
InChIKeyUYBCVDQYPOAQQS-UHFFFAOYSA-N
MW432.57 g/mol
LogP1.29
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (PubChem CID 24534606) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
PubChem CID24534606
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(CN(C)C(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c1OC
InChIInChI=1S/C23H36N4O4/c1-24(16-19-8-7-9-20(30-2)23(19)31-3)21(28)17-25-12-14-26(15-13-25)18-22(29)27-10-5-4-6-11-27/h7-9H,4-6,10-18H2,1-3H3
InChIKeyUYBCVDQYPOAQQS-UHFFFAOYSA-N
XLogP1.29
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119907420
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethoxy-3-methoxyphenyl)methyl]-N-methylacetamide
CID 91841851
2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 27835771
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30672521
2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119906324
1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332
2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 43045464
N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 18121406
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
(E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(2-methoxyphenyl)-2-phenylprop-2-en-1-one
CID 39290149
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 55447305

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (CID 24534606) is N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is COc1cccc(CN(C)C(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The InChIKey is UYBCVDQYPOAQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4/c1-24(16-19-8-7-9-20(30-2)23(19)31-3)21(28)17-25-12-14-26(15-13-25)18-22(29)27-10-5-4-6-11-27/h7-9H,4-6,10-18H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide has a molecular weight of 432.57 g/mol, XLogP of 1.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24534606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).