2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate

C18H22ClN5O3 — CID 58904602

IUPAC2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OCCN1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C18H22ClN5O3/c1-26-15-5-3-2-4-14(15)20-18(25)27-13-12-23-8-10-24(11-9-23)17-7-6-16(19)21-22-17/h2-7H,8-13H2,1H3,(H,20,25)
InChIKeyMIFYYGJMTLEQRW-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.51
Rot. Bonds6

About 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate

2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate (PubChem CID 58904602) has the molecular formula C18H22ClN5O3 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate
PubChem CID58904602
Molecular FormulaC18H22ClN5O3
Molecular Weight391.86 g/mol
Exact Mass391.14
IUPAC Name2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OCCN1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C18H22ClN5O3/c1-26-15-5-3-2-4-14(15)20-18(25)27-13-12-23-8-10-24(11-9-23)17-7-6-16(19)21-22-17/h2-7H,8-13H2,1H3,(H,20,25)
InChIKeyMIFYYGJMTLEQRW-UHFFFAOYSA-N
XLogP2.51
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-morpholin-4-ylethyl N-(2-methoxyphenyl)carbamate
CID 3087022
3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate
CID 58904598
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 10741078
3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
CID 58904664
2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 133421929
6-chloro-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 60859833
ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate
CID 19773562
2-(4-ethylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 3072265
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate
CID 113360064
3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine
CID 50969918
2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1-(2-methoxyphenyl)guanidine
CID 111082407

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate?
The IUPAC name of 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate (CID 58904602) is 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate?
The canonical SMILES for 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate is COc1ccccc1NC(=O)OCCN1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate?
The InChIKey is MIFYYGJMTLEQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3/c1-26-15-5-3-2-4-14(15)20-18(25)27-13-12-23-8-10-24(11-9-23)17-7-6-16(19)21-22-17/h2-7H,8-13H2,1H3,(H,20,25).
What are the key properties of 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate?
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate has a molecular weight of 391.86 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 58904602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).