N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide

C19H24ClN5O2 — CID 86868286

IUPACN-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3cc(C)nc(C)n3)CC2)cc1Cl
InChIInChI=1S/C19H24ClN5O2/c1-13-10-18(22-14(2)21-13)25-8-6-24(7-9-25)12-19(26)23-15-4-5-17(27-3)16(20)11-15/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,26)
InChIKeyKSXOMDHHDWYGNL-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.52
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 86868286) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID86868286
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3cc(C)nc(C)n3)CC2)cc1Cl
InChIInChI=1S/C19H24ClN5O2/c1-13-10-18(22-14(2)21-13)25-8-6-24(7-9-25)12-19(26)23-15-4-5-17(27-3)16(20)11-15/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,26)
InChIKeyKSXOMDHHDWYGNL-UHFFFAOYSA-N
XLogP2.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2264838
N-(3-chloro-4-methoxyphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17476856
N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80702831
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87019465
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 9131080
N-(3-chloro-4-methoxyphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923559
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16599033
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2655574
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963334
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112769547
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]acetamide
CID 47055775
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide (CID 86868286) is N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(c3cc(C)nc(C)n3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is KSXOMDHHDWYGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-13-10-18(22-14(2)21-13)25-8-6-24(7-9-25)12-19(26)23-15-4-5-17(27-3)16(20)11-15/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 389.89 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86868286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).