3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide

C21H31N3O4 — CID 90616430

IUPAC3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CCC(N3CCC(OC)CC3)CC2)c1
InChIInChI=1S/C21H31N3O4/c1-27-18-8-12-23(13-9-18)17-6-10-24(11-7-17)20(25)15-22-21(26)16-4-3-5-19(14-16)28-2/h3-5,14,17-18H,6-13,15H2,1-2H3,(H,22,26)
InChIKeyALORHSJHIKDSEZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.53
Rot. Bonds6

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

3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 90616430) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID90616430
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CCC(N3CCC(OC)CC3)CC2)c1
InChIInChI=1S/C21H31N3O4/c1-27-18-8-12-23(13-9-18)17-6-10-24(11-7-17)20(25)15-22-21(26)16-4-3-5-19(14-16)28-2/h3-5,14,17-18H,6-13,15H2,1-2H3,(H,22,26)
InChIKeyALORHSJHIKDSEZ-UHFFFAOYSA-N
XLogP1.53
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
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3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide
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CID 90616349
3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9152898
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1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117490
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-methoxybenzamide
CID 110370967
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
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3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 90616430) is 3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide is COc1cccc(C(=O)NCC(=O)N2CCC(N3CCC(OC)CC3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is ALORHSJHIKDSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-27-18-8-12-23(13-9-18)17-6-10-24(11-7-17)20(25)15-22-21(26)16-4-3-5-19(14-16)28-2/h3-5,14,17-18H,6-13,15H2,1-2H3,(H,22,26).
What are the key properties of 3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 90616430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).