3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide

C21H24ClN3O3 — CID 86966299

IUPAC3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1N1CCCC(NC(=O)CNC(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C21H24ClN3O3/c1-28-19-10-3-2-9-18(19)25-11-5-8-17(14-25)24-20(26)13-23-21(27)15-6-4-7-16(22)12-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyNANYIWPKQRWMLG-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.86
Rot. Bonds6

About 3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide

3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 86966299) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID86966299
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1N1CCCC(NC(=O)CNC(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C21H24ClN3O3/c1-28-19-10-3-2-9-18(19)25-11-5-8-17(14-25)24-20(26)13-23-21(27)15-6-4-7-16(22)12-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyNANYIWPKQRWMLG-UHFFFAOYSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965513
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide
CID 86965528
3-cyclopentyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
CID 86965679
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 86965648
N-[4-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 86965609
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
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119873197
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide (CID 86966299) is 3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide is COc1ccccc1N1CCCC(NC(=O)CNC(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is NANYIWPKQRWMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-28-19-10-3-2-9-18(19)25-11-5-8-17(14-25)24-20(26)13-23-21(27)15-6-4-7-16(22)12-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 401.89 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86966299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).