2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide

C21H26ClN3O3 — CID 71848299

IUPAC2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCC(CO)CC1
InChIInChI=1S/C21H26ClN3O3/c1-28-20-5-3-2-4-17(20)24-21(27)13-23-18-12-16(22)6-7-19(18)25-10-8-15(14-26)9-11-25/h2-7,12,15,23,26H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyJYUDLXKCMBWAJO-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.61
Rot. Bonds7

About 2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide

2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide (PubChem CID 71848299) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide
PubChem CID71848299
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCC(CO)CC1
InChIInChI=1S/C21H26ClN3O3/c1-28-20-5-3-2-4-17(20)24-21(27)13-23-18-12-16(22)6-7-19(18)25-10-8-15(14-26)9-11-25/h2-7,12,15,23,26H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyJYUDLXKCMBWAJO-UHFFFAOYSA-N
XLogP3.61
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 99144350
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide
CID 41397519
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 55917555
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
2-(5-chloro-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 26417328
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 60539290
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyphenyl)acetamide
CID 33482506
[1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 110011365
N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008560
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543562
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium
CID 2532502

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide (CID 71848299) is 2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCC(CO)CC1.
What is the InChIKey of 2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is JYUDLXKCMBWAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-28-20-5-3-2-4-17(20)24-21(27)13-23-18-12-16(22)6-7-19(18)25-10-8-15(14-26)9-11-25/h2-7,12,15,23,26H,8-11,13-14H2,1H3,(H,24,27).
What are the key properties of 2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide?
2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 403.91 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 71848299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).