4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide

C15H20ClN5O2 — CID 134787502

IUPAC4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C15H20ClN5O2/c16-12-6-7-13(19-18-12)21-9-8-20(10-14(21)22)15(23)17-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H,17,23)
InChIKeyDEVKLJNBTSAIMO-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.82
Rot. Bonds2

About 4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide

4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide (PubChem CID 134787502) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide
PubChem CID134787502
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C15H20ClN5O2/c16-12-6-7-13(19-18-12)21-9-8-20(10-14(21)22)15(23)17-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H,17,23)
InChIKeyDEVKLJNBTSAIMO-UHFFFAOYSA-N
XLogP1.82
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-oxopyrrolidine-1-carboxamide
CID 130826752
N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
CID 155952713
4-[(4-chlorophenyl)methyl]-1-(6-chloropyridazin-3-yl)piperazin-2-one
CID 134795454
4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
CID 110813448
N-cyclohexyl-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 106313541
N-cycloheptyl-3-oxopiperazine-1-carboxamide
CID 119103460
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813453

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide (CID 134787502) is 4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(c2ccc(Cl)nn2)C(=O)C1.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide?
The InChIKey is DEVKLJNBTSAIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c16-12-6-7-13(19-18-12)21-9-8-20(10-14(21)22)15(23)17-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H,17,23).
What are the key properties of 4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide?
4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)-N-cyclohexyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 134787502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).