2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone

C24H24ClN3O2 — CID 50842572

IUPAC2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(-c2nccc(C3CCCN(C(=O)Cc4ccccc4Cl)C3)n2)cc1
InChIInChI=1S/C24H24ClN3O2/c1-30-20-10-8-17(9-11-20)24-26-13-12-22(27-24)19-6-4-14-28(16-19)23(29)15-18-5-2-3-7-21(18)25/h2-3,5,7-13,19H,4,6,14-16H2,1H3
InChIKeyZGOVUYODBQNISX-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.75
Rot. Bonds5

About 2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 50842572) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID50842572
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(-c2nccc(C3CCCN(C(=O)Cc4ccccc4Cl)C3)n2)cc1
InChIInChI=1S/C24H24ClN3O2/c1-30-20-10-8-17(9-11-20)24-26-13-12-22(27-24)19-6-4-14-28(16-19)23(29)15-18-5-2-3-7-21(18)25/h2-3,5,7-13,19H,4,6,14-16H2,1H3
InChIKeyZGOVUYODBQNISX-UHFFFAOYSA-N
XLogP4.75
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-dichlorophenyl)-2-[(2-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327894
6-(2,6-dichlorophenyl)-2-[(3-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327895
6-(2,6-Dichlorophenyl)-2-(4-methoxyphenylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327896
6-(2,6-dichlorophenyl)-2-[(4-ethoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330525
2-(6,8-Dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-phenylacetamide
CID 24945828
3-(2,6-Dichlorophenyl)-7-[(4-methoxyphenyl)amino]-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328715
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 168289645
N-[2-[2-[(4-chloro-3-fluorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
CID 25094272
N-[2-[2-[(3-chloro-4-fluorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
CID 25094313
6-(2-Chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 135381302
4-(4-Chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine
CID 2767771
6-(4-Chlorophenyl)-8-methyl-2-phenoxypteridin-7-one
CID 3232788

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 50842572) is 2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone is COc1ccc(-c2nccc(C3CCCN(C(=O)Cc4ccccc4Cl)C3)n2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is ZGOVUYODBQNISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-30-20-10-8-17(9-11-20)24-26-13-12-22(27-24)19-6-4-14-28(16-19)23(29)15-18-5-2-3-7-21(18)25/h2-3,5,7-13,19H,4,6,14-16H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 421.93 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50842572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).