2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide

C22H26ClN3O3 — CID 55918321

IUPAC2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCCC2C)c(Cl)c1
InChIInChI=1S/C22H26ClN3O3/c1-15-7-5-6-12-26(15)22(28)17-11-10-16(13-18(17)23)24-14-21(27)25-19-8-3-4-9-20(19)29-2/h3-4,8-11,13,15,24H,5-7,12,14H2,1-2H3,(H,25,27)
InChIKeyQMRGSSANGHHDAS-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.41
Rot. Bonds6

About 2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide

2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide (PubChem CID 55918321) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide
PubChem CID55918321
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCCC2C)c(Cl)c1
InChIInChI=1S/C22H26ClN3O3/c1-15-7-5-6-12-26(15)22(28)17-11-10-16(13-18(17)23)24-14-21(27)25-19-8-3-4-9-20(19)29-2/h3-4,8-11,13,15,24H,5-7,12,14H2,1-2H3,(H,25,27)
InChIKeyQMRGSSANGHHDAS-UHFFFAOYSA-N
XLogP4.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 119949567
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949566
4-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133661
[2-chloro-4-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone
CID 55917550
2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43826278
N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 9100423
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide
CID 7565850
4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119283706
N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083951
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120621032

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide (CID 55918321) is 2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCCC2C)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is QMRGSSANGHHDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-15-7-5-6-12-26(15)22(28)17-11-10-16(13-18(17)23)24-14-21(27)25-19-8-3-4-9-20(19)29-2/h3-4,8-11,13,15,24H,5-7,12,14H2,1-2H3,(H,25,27).
What are the key properties of 2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide?
2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 415.92 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 55918321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).