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

C22H25ClN2O4 — CID 108935229

IUPAC2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N2CCC(CNC(=O)c3ccccc3Cl)CC2)cc1OC
InChIInChI=1S/C22H25ClN2O4/c1-28-19-8-7-16(13-20(19)29-2)22(27)25-11-9-15(10-12-25)14-24-21(26)17-5-3-4-6-18(17)23/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,26)
InChIKeyTUILVDCDFUWEPJ-UHFFFAOYSA-N
MW416.91 g/mol
LogP3.64
Rot. Bonds6

About 2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide

2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide (PubChem CID 108935229) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
PubChem CID108935229
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC Name2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N2CCC(CNC(=O)c3ccccc3Cl)CC2)cc1OC
InChIInChI=1S/C22H25ClN2O4/c1-28-19-8-7-16(13-20(19)29-2)22(27)25-11-9-15(10-12-25)14-24-21(26)17-5-3-4-6-18(17)23/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,26)
InChIKeyTUILVDCDFUWEPJ-UHFFFAOYSA-N
XLogP3.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-sulfanylbenzamide
CID 108935334
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935184
3-(2-chlorophenyl)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]propanamide
CID 108935463
3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide
CID 108935320
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2,3,4-trifluorobenzamide
CID 108935387
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-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108935459
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 108935285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide (CID 108935229) is 2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide is COc1ccc(C(=O)N2CCC(CNC(=O)c3ccccc3Cl)CC2)cc1OC.
What is the InChIKey of 2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is TUILVDCDFUWEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-28-19-8-7-16(13-20(19)29-2)22(27)25-11-9-15(10-12-25)14-24-21(26)17-5-3-4-6-18(17)23/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,26).
What are the key properties of 2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide?
2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 416.91 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 108935229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).