ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen

C40H58N8O6 — CID 154662299

IUPACethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen
SMILESCC.CCCc1ccc(OC2CCN(C(=O)Nc3ccc(=O)n(C)n3)CC2)cc1.Cc1ccccc1OC1CCN(C(=O)Nc2ccc(=O)n(C)n2)CC1.[H][H].[H][H]
InChIInChI=1S/C20H26N4O3.C18H22N4O3.C2H6.2H2/c1-3-4-15-5-7-16(8-6-15)27-17-11-13-24(14-12-17)20(26)21-18-9-10-19(25)23(2)22-18;1-13-5-3-4-6-15(13)25-14-9-11-22(12-10-14)18(24)19-16-7-8-17(23)21(2)20-16;1-2;;/h5-10,17H,3-4,11-14H2,1-2H3,(H,21,22,26);3-8,14H,9-12H2,1-2H3,(H,19,20,24);1-2H3;2*1H
InChIKeySEIWRLNNWKGWDZ-UHFFFAOYSA-N
MW746.95 g/mol
LogP6.49
Rot. Bonds8

About ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen

ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen (PubChem CID 154662299) has the molecular formula C40H58N8O6 and a molecular weight of 746.95 g/mol. Its IUPAC name is ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen
PubChem CID154662299
Molecular FormulaC40H58N8O6
Molecular Weight746.95 g/mol
Exact Mass746.45
IUPAC Nameethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen
SMILESCC.CCCc1ccc(OC2CCN(C(=O)Nc3ccc(=O)n(C)n3)CC2)cc1.Cc1ccccc1OC1CCN(C(=O)Nc2ccc(=O)n(C)n2)CC1.[H][H].[H][H]
InChIInChI=1S/C20H26N4O3.C18H22N4O3.C2H6.2H2/c1-3-4-15-5-7-16(8-6-15)27-17-11-13-24(14-12-17)20(26)21-18-9-10-19(25)23(2)22-18;1-13-5-3-4-6-15(13)25-14-9-11-22(12-10-14)18(24)19-16-7-8-17(23)21(2)20-16;1-2;;/h5-10,17H,3-4,11-14H2,1-2H3,(H,21,22,26);3-8,14H,9-12H2,1-2H3,(H,19,20,24);1-2H3;2*1H
InChIKeySEIWRLNNWKGWDZ-UHFFFAOYSA-N
XLogP6.49
TPSA152.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.95
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen
CID 156741733
4-[(2-fluorophenoxy)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662325
4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662473
4-[2-(3,5-difluorophenyl)ethyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 157412972
4-[(2-chloro-3-cyanophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662466
4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662305
3-[4-[1-[[(2R,3S)-2,3-diphenylcyclopropyl]carbamoyl]piperidin-4-yl]oxyphenyl]propanoic acid
CID 91667424
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide
CID 145485958
N-(2-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566508
1-cyclobutyloxy-4-propylbenzene
CID 178141621
N-(1,3-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide
CID 46981177

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen?
The IUPAC name of ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen (CID 154662299) is ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen is CC.CCCc1ccc(OC2CCN(C(=O)Nc3ccc(=O)n(C)n3)CC2)cc1.Cc1ccccc1OC1CCN(C(=O)Nc2ccc(=O)n(C)n2)CC1.[H][H].[H][H].
What is the InChIKey of ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen?
The InChIKey is SEIWRLNNWKGWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3.C18H22N4O3.C2H6.2H2/c1-3-4-15-5-7-16(8-6-15)27-17-11-13-24(14-12-17)20(26)21-18-9-10-19(25)23(2)22-18;1-13-5-3-4-6-15(13)25-14-9-11-22(12-10-14)18(24)19-16-7-8-17(23)21(2)20-16;1-2;;/h5-10,17H,3-4,11-14H2,1-2H3,(H,21,22,26);3-8,14H,9-12H2,1-2H3,(H,19,20,24);1-2H3;2*1H.
What are the key properties of ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen?
ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen has a molecular weight of 746.95 g/mol, XLogP of 6.49, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 154662299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).