N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide

C20H25ClN6O — CID 122334555

IUPACN-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C20H25ClN6O/c21-16-5-4-6-17(15-16)22-20(28)27-13-11-26(12-14-27)19-8-7-18(23-24-19)25-9-2-1-3-10-25/h4-8,15H,1-3,9-14H2,(H,22,28)
InChIKeyAOOASXOLTRINJR-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.47
Rot. Bonds3

About N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide

N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 122334555) has the molecular formula C20H25ClN6O and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
PubChem CID122334555
Molecular FormulaC20H25ClN6O
Molecular Weight400.91 g/mol
Exact Mass400.18
IUPAC NameN-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C20H25ClN6O/c21-16-5-4-6-17(15-16)22-20(28)27-13-11-26(12-14-27)19-8-7-18(23-24-19)25-9-2-1-3-10-25/h4-8,15H,1-3,9-14H2,(H,22,28)
InChIKeyAOOASXOLTRINJR-UHFFFAOYSA-N
XLogP3.47
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001299
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
N-(3-chlorophenyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 118068173
N-(3,5-dimethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334290
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334296
N-(1,3-benzodioxol-5-yl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334562
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(3-chlorophenyl)-4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 42802773
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide (CID 122334555) is N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is AOOASXOLTRINJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O/c21-16-5-4-6-17(15-16)22-20(28)27-13-11-26(12-14-27)19-8-7-18(23-24-19)25-9-2-1-3-10-25/h4-8,15H,1-3,9-14H2,(H,22,28).
What are the key properties of N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 122334555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).