ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine

C26H41N5O4 — CID 155725881

IUPACethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine
SMILESCC.COC(=O)C1CCN(CCCNC(=O)OC(C)(C)C)CC1.c1ccc(-c2ccnnc2)nc1
InChIInChI=1S/C15H28N2O4.C9H7N3.C2H6/c1-15(2,3)21-14(19)16-8-5-9-17-10-6-12(7-11-17)13(18)20-4;1-2-5-10-9(3-1)8-4-6-11-12-7-8;1-2/h12H,5-11H2,1-4H3,(H,16,19);1-7H;1-2H3
InChIKeyYNUBIRCHPDMEPM-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.35
Rot. Bonds6

About ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine

ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine (PubChem CID 155725881) has the molecular formula C26H41N5O4 and a molecular weight of 487.65 g/mol. Its IUPAC name is ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine.

Molecular Properties

Compound Nameethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine
PubChem CID155725881
Molecular FormulaC26H41N5O4
Molecular Weight487.65 g/mol
Exact Mass487.32
IUPAC Nameethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine
SMILESCC.COC(=O)C1CCN(CCCNC(=O)OC(C)(C)C)CC1.c1ccc(-c2ccnnc2)nc1
InChIInChI=1S/C15H28N2O4.C9H7N3.C2H6/c1-15(2,3)21-14(19)16-8-5-9-17-10-6-12(7-11-17)13(18)20-4;1-2-5-10-9(3-1)8-4-6-11-12-7-8;1-2/h12H,5-11H2,1-4H3,(H,16,19);1-7H;1-2H3
InChIKeyYNUBIRCHPDMEPM-UHFFFAOYSA-N
XLogP4.35
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine with MolForge

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Related Compounds

methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475
benzyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propyl]carbamate
CID 146599653
tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
CID 21027861
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
CID 138726762
methyl 1-[3-[(5-cyanopyridine-2-carbonyl)amino]propyl]piperidine-4-carboxylate
CID 166187744
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
tert-butyl 4-[3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propyl]piperazine-1-carboxylate
CID 111192556
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate
CID 54277213

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine?
The IUPAC name of ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine (CID 155725881) is ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine.
What is the SMILES notation for ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine?
The canonical SMILES for ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine is CC.COC(=O)C1CCN(CCCNC(=O)OC(C)(C)C)CC1.c1ccc(-c2ccnnc2)nc1.
What is the InChIKey of ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine?
The InChIKey is YNUBIRCHPDMEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4.C9H7N3.C2H6/c1-15(2,3)21-14(19)16-8-5-9-17-10-6-12(7-11-17)13(18)20-4;1-2-5-10-9(3-1)8-4-6-11-12-7-8;1-2/h12H,5-11H2,1-4H3,(H,16,19);1-7H;1-2H3.
What are the key properties of ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine?
ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine has a molecular weight of 487.65 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-4-carboxylate;4-pyridin-2-ylpyridazine is sourced from PubChem (CID 155725881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).