3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide

C21H25N3O3 — CID 136522528

IUPAC3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CCC(c3ccc(C)nc3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-15-6-7-18(13-22-15)16-8-10-24(11-9-16)20(25)14-23-21(26)17-4-3-5-19(12-17)27-2/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyUOSOCUCHVLCXGJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.53
Rot. Bonds5

About 3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide

3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 136522528) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID136522528
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CCC(c3ccc(C)nc3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-15-6-7-18(13-22-15)16-8-10-24(11-9-16)20(25)14-23-21(26)17-4-3-5-19(12-17)27-2/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyUOSOCUCHVLCXGJ-UHFFFAOYSA-N
XLogP2.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 90586455
3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90616430
3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112995627
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9152898
1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110460440
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942
3-methoxy-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 4877073
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
4-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 127813854
1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117490
2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 110479220

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 136522528) is 3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide is COc1cccc(C(=O)NCC(=O)N2CCC(c3ccc(C)nc3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is UOSOCUCHVLCXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-6-7-18(13-22-15)16-8-10-24(11-9-16)20(25)14-23-21(26)17-4-3-5-19(12-17)27-2/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,23,26).
What are the key properties of 3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide?
3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 136522528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).