2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide

C23H35N3O4 — CID 70049058

IUPAC2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1CCN(CCCC(=O)N2CCCCC2)CC1OC
InChIInChI=1S/C23H35N3O4/c1-29-20-10-5-4-9-18(20)23(28)24-19-12-16-25(17-21(19)30-2)13-8-11-22(27)26-14-6-3-7-15-26/h4-5,9-10,19,21H,3,6-8,11-17H2,1-2H3,(H,24,28)
InChIKeyBWSDLTQNDWNSQV-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.31
Rot. Bonds8

About 2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide

2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide (PubChem CID 70049058) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide
PubChem CID70049058
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Name2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1CCN(CCCC(=O)N2CCCCC2)CC1OC
InChIInChI=1S/C23H35N3O4/c1-29-20-10-5-4-9-18(20)23(28)24-19-12-16-25(17-21(19)30-2)13-8-11-22(27)26-14-6-3-7-15-26/h4-5,9-10,19,21H,3,6-8,11-17H2,1-2H3,(H,24,28)
InChIKeyBWSDLTQNDWNSQV-UHFFFAOYSA-N
XLogP2.31
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]-4-(methylamino)benzamide
CID 19994868
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide
CID 67922911
5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide
CID 15078525
4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]benzamide
CID 19994844
N-[(3R,4S)-1-[4-(4-acetylpiperidin-1-yl)-4-oxobutyl]-3-methoxypiperidin-4-yl]-4-amino-5-chloro-2-methoxybenzamide
CID 67922964
4-amino-2-ethoxy-N-[(3R,4S)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]-5-nitrobenzamide
CID 67922944
N-[1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;dihydrate
CID 67833441
4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 19994818
N-[4-[(3R,4S)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl]-N-methylpyrrolidine-1-carboxamide;hydrate
CID 67922664
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108549239
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl pyrrolidine-1-carboxylate
CID 19994885

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide (CID 70049058) is 2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide is COc1ccccc1C(=O)NC1CCN(CCCC(=O)N2CCCCC2)CC1OC.
What is the InChIKey of 2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide?
The InChIKey is BWSDLTQNDWNSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-29-20-10-5-4-9-18(20)23(28)24-19-12-16-25(17-21(19)30-2)13-8-11-22(27)26-14-6-3-7-15-26/h4-5,9-10,19,21H,3,6-8,11-17H2,1-2H3,(H,24,28).
What are the key properties of 2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide?
2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide has a molecular weight of 417.55 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 70049058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).