N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide

C18H21Cl2N5O2 — CID 86959649

IUPACN-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
SMILESCOc1cncc(N2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)n1
InChIInChI=1S/C18H21Cl2N5O2/c1-27-18-12-21-11-16(23-18)25-8-6-24(7-9-25)5-4-17(26)22-15-10-13(19)2-3-14(15)20/h2-3,10-12H,4-9H2,1H3,(H,22,26)
InChIKeyKMUUURKEZOEAPL-UHFFFAOYSA-N
MW410.31 g/mol
LogP2.94
Rot. Bonds6

About N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide

N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide (PubChem CID 86959649) has the molecular formula C18H21Cl2N5O2 and a molecular weight of 410.31 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
PubChem CID86959649
Molecular FormulaC18H21Cl2N5O2
Molecular Weight410.31 g/mol
Exact Mass409.11
IUPAC NameN-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
SMILESCOc1cncc(N2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)n1
InChIInChI=1S/C18H21Cl2N5O2/c1-27-18-12-21-11-16(23-18)25-8-6-24(7-9-25)5-4-17(26)22-15-10-13(19)2-3-14(15)20/h2-3,10-12H,4-9H2,1H3,(H,22,26)
InChIKeyKMUUURKEZOEAPL-UHFFFAOYSA-N
XLogP2.94
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 24589360
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 86959633
N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655404
methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate
CID 81422160
N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide
CID 11971553
N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 33202227
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
N-(2,5-dichlorophenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119920297
N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962492
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63263797

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide (CID 86959649) is N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide is COc1cncc(N2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)n1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide?
The InChIKey is KMUUURKEZOEAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O2/c1-27-18-12-21-11-16(23-18)25-8-6-24(7-9-25)5-4-17(26)22-15-10-13(19)2-3-14(15)20/h2-3,10-12H,4-9H2,1H3,(H,22,26).
What are the key properties of N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide?
N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide has a molecular weight of 410.31 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 86959649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).