3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide

C22H24Cl2N2O4 — CID 108935184

IUPAC3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N2CCC(CNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1OC
InChIInChI=1S/C22H24Cl2N2O4/c1-29-19-6-4-16(12-20(19)30-2)22(28)26-9-7-14(8-10-26)13-25-21(27)15-3-5-17(23)18(24)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,27)
InChIKeyZNTAKKQRDQRRGR-UHFFFAOYSA-N
MW451.35 g/mol
LogP4.29
Rot. Bonds6

About 3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide

3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide (PubChem CID 108935184) has the molecular formula C22H24Cl2N2O4 and a molecular weight of 451.35 g/mol. Its IUPAC name is 3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
PubChem CID108935184
Molecular FormulaC22H24Cl2N2O4
Molecular Weight451.35 g/mol
Exact Mass450.11
IUPAC Name3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N2CCC(CNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1OC
InChIInChI=1S/C22H24Cl2N2O4/c1-29-19-6-4-16(12-20(19)30-2)22(28)26-9-7-14(8-10-26)13-25-21(27)15-3-5-17(23)18(24)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,27)
InChIKeyZNTAKKQRDQRRGR-UHFFFAOYSA-N
XLogP4.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935229
N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228
3-bromo-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935231
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935300
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-sulfanylbenzamide
CID 108935334
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2,3,4-trifluorobenzamide
CID 108935387
3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide
CID 108935320

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide (CID 108935184) is 3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide is COc1ccc(C(=O)N2CCC(CNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1OC.
What is the InChIKey of 3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is ZNTAKKQRDQRRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O4/c1-29-19-6-4-16(12-20(19)30-2)22(28)26-9-7-14(8-10-26)13-25-21(27)15-3-5-17(23)18(24)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,27).
What are the key properties of 3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide?
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 451.35 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 108935184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).