3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide

C22H27ClN2O4 — CID 86965528

IUPAC3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)NC2CCCN(c3ccccc3OC)C2)cc1OC
InChIInChI=1S/C22H27ClN2O4/c1-4-29-21-17(23)12-15(13-20(21)28-3)22(26)24-16-8-7-11-25(14-16)18-9-5-6-10-19(18)27-2/h5-6,9-10,12-13,16H,4,7-8,11,14H2,1-3H3,(H,24,26)
InChIKeyLSVOCILLCZSCNB-UHFFFAOYSA-N
MW418.92 g/mol
LogP4.15
Rot. Bonds7

About 3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide

3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide (PubChem CID 86965528) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide
PubChem CID86965528
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)NC2CCCN(c3ccccc3OC)C2)cc1OC
InChIInChI=1S/C22H27ClN2O4/c1-4-29-21-17(23)12-15(13-20(21)28-3)22(26)24-16-8-7-11-25(14-16)18-9-5-6-10-19(18)27-2/h5-6,9-10,12-13,16H,4,7-8,11,14H2,1-3H3,(H,24,26)
InChIKeyLSVOCILLCZSCNB-UHFFFAOYSA-N
XLogP4.15
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
2-(3-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965513
3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide
CID 86966299
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119475170
4-(dimethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 136514299
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
CID 86966315
3-cyclopentyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
CID 86965679
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 25417186
5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 86965684

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide (CID 86965528) is 3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide is CCOc1c(Cl)cc(C(=O)NC2CCCN(c3ccccc3OC)C2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide?
The InChIKey is LSVOCILLCZSCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-4-29-21-17(23)12-15(13-20(21)28-3)22(26)24-16-8-7-11-25(14-16)18-9-5-6-10-19(18)27-2/h5-6,9-10,12-13,16H,4,7-8,11,14H2,1-3H3,(H,24,26).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide?
3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide has a molecular weight of 418.92 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 86965528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).