N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

C24H40N6O2 — CID 50771884

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCN(c2ccc(N3CCOCC3)nn2)CC1)C1CCCCC1
InChIInChI=1S/C24H40N6O2/c1-28(21-6-3-2-4-7-21)13-5-12-25-24(31)20-10-14-29(15-11-20)22-8-9-23(27-26-22)30-16-18-32-19-17-30/h8-9,20-21H,2-7,10-19H2,1H3,(H,25,31)
InChIKeyRVQQRHRLDSCNCL-UHFFFAOYSA-N
MW444.62 g/mol
LogP2.30
Rot. Bonds8

About N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50771884) has the molecular formula C24H40N6O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50771884
Molecular FormulaC24H40N6O2
Molecular Weight444.62 g/mol
Exact Mass444.32
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCN(c2ccc(N3CCOCC3)nn2)CC1)C1CCCCC1
InChIInChI=1S/C24H40N6O2/c1-28(21-6-3-2-4-7-21)13-5-12-25-24(31)20-10-14-29(15-11-20)22-8-9-23(27-26-22)30-16-18-32-19-17-30/h8-9,20-21H,2-7,10-19H2,1H3,(H,25,31)
InChIKeyRVQQRHRLDSCNCL-UHFFFAOYSA-N
XLogP2.30
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-({[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3239594
N-(3-methoxypropyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 16188092
2-Methyl-1-(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 7292461
N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20865083
Azepan-1-yl-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 46297875
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 46297902
N-{3-[cyclohexyl(methyl)amino]propyl}-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771154
N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771801
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771807
N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771821
N-[3-(3-Methylpiperidino)propyl]-1-(6-piperidino-3-pyridazinyl)-4-piperidinecarboxamide
CID 50771825
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771872

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50771884) is N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is CN(CCCNC(=O)C1CCN(c2ccc(N3CCOCC3)nn2)CC1)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is RVQQRHRLDSCNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O2/c1-28(21-6-3-2-4-7-21)13-5-12-25-24(31)20-10-14-29(15-11-20)22-8-9-23(27-26-22)30-16-18-32-19-17-30/h8-9,20-21H,2-7,10-19H2,1H3,(H,25,31).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 444.62 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50771884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).