3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide

C22H26N2O5 — CID 108550564

IUPAC3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(C(=O)c3ccccc3OC)CC2)c1
InChIInChI=1S/C22H26N2O5/c1-27-17-12-15(13-18(14-17)28-2)21(25)23-16-8-10-24(11-9-16)22(26)19-6-4-5-7-20(19)29-3/h4-7,12-14,16H,8-11H2,1-3H3,(H,23,25)
InChIKeyAEBJBFROQIATTN-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.75
Rot. Bonds6

About 3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide

3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide (PubChem CID 108550564) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
PubChem CID108550564
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(C(=O)c3ccccc3OC)CC2)c1
InChIInChI=1S/C22H26N2O5/c1-27-17-12-15(13-18(14-17)28-2)21(25)23-16-8-10-24(11-9-16)22(26)19-6-4-5-7-20(19)29-3/h4-7,12-14,16H,8-11H2,1-3H3,(H,23,25)
InChIKeyAEBJBFROQIATTN-UHFFFAOYSA-N
XLogP2.75
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554010
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
N-[1-(2-methoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110820518
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108551569
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550593
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548886

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide (CID 108550564) is 3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide is COc1cc(OC)cc(C(=O)NC2CCN(C(=O)c3ccccc3OC)CC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide?
The InChIKey is AEBJBFROQIATTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-27-17-12-15(13-18(14-17)28-2)21(25)23-16-8-10-24(11-9-16)22(26)19-6-4-5-7-20(19)29-3/h4-7,12-14,16H,8-11H2,1-3H3,(H,23,25).
What are the key properties of 3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide?
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108550564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).