N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

C16H26N6O — CID 121118540

IUPACN-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NN3CCN(C)CC3)C2)nn1
InChIInChI=1S/C16H26N6O/c1-13-5-6-15(18-17-13)21-7-3-4-14(12-21)16(23)19-22-10-8-20(2)9-11-22/h5-6,14H,3-4,7-12H2,1-2H3,(H,19,23)
InChIKeyBITIDSVQOKJMLN-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.28
Rot. Bonds3

About N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121118540) has the molecular formula C16H26N6O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121118540
Molecular FormulaC16H26N6O
Molecular Weight318.42 g/mol
Exact Mass318.22
IUPAC NameN-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NN3CCN(C)CC3)C2)nn1
InChIInChI=1S/C16H26N6O/c1-13-5-6-15(18-17-13)21-7-3-4-14(12-21)16(23)19-22-10-8-20(2)9-11-22/h5-6,14H,3-4,7-12H2,1-2H3,(H,19,23)
InChIKeyBITIDSVQOKJMLN-UHFFFAOYSA-N
XLogP0.28
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 121118673
N-(3,5-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118510
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118648
N-(5-methyl-1H-pyrazol-3-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118676
N-[(4-fluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118477
(3R)-N-(3,4-difluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 97040572
N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118516
N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118700

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (CID 121118540) is N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(=O)NN3CCN(C)CC3)C2)nn1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is BITIDSVQOKJMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-13-5-6-15(18-17-13)21-7-3-4-14(12-21)16(23)19-22-10-8-20(2)9-11-22/h5-6,14H,3-4,7-12H2,1-2H3,(H,19,23).
What are the key properties of N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121118540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).