[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate

C43H75N3O7 — CID 146331920

IUPAC[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC1CC(OC2CCN(CCCC#CCOC(C)(C)CC(C)(C)N3CC(OC(=O)N4CCC(OC5CC(OC(C)(C)C)C5)CC4)C3)CC2)C1
InChIInChI=1S/C43H75N3O7/c1-40(2,3)52-36-25-34(26-36)49-32-15-20-44(21-16-32)19-13-11-12-14-24-48-43(9,10)31-42(7,8)46-29-38(30-46)51-39(47)45-22-17-33(18-23-45)50-35-27-37(28-35)53-41(4,5)6/h32-38H,11,13,15-31H2,1-10H3
InChIKeyXDZNHBLGUXRBST-UHFFFAOYSA-N
MW746.09 g/mol
LogP7.21
Rot. Bonds15

About [1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate

[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate (PubChem CID 146331920) has the molecular formula C43H75N3O7 and a molecular weight of 746.09 g/mol. Its IUPAC name is [1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Name[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate
PubChem CID146331920
Molecular FormulaC43H75N3O7
Molecular Weight746.09 g/mol
Exact Mass745.56
IUPAC Name[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC1CC(OC2CCN(CCCC#CCOC(C)(C)CC(C)(C)N3CC(OC(=O)N4CCC(OC5CC(OC(C)(C)C)C5)CC4)C3)CC2)C1
InChIInChI=1S/C43H75N3O7/c1-40(2,3)52-36-25-34(26-36)49-32-15-20-44(21-16-32)19-13-11-12-14-24-48-43(9,10)31-42(7,8)46-29-38(30-46)51-39(47)45-22-17-33(18-23-45)50-35-27-37(28-35)53-41(4,5)6/h32-38H,11,13,15-31H2,1-10H3
InChIKeyXDZNHBLGUXRBST-UHFFFAOYSA-N
XLogP7.21
TPSA82.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.09
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine
CID 154957378
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine
CID 134488993
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-(2-piperidin-1-ylethyl)piperidine
CID 158335840
4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one
CID 140908004
1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine
CID 153436977
1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;4-tert-butyl-2-methyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropyl]piperazine;1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropyl]piperazine;1-[[4-[4-[(2-methylpropan-2-yl)oxy]but-2-ynyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]cyclobutane-1,3-diol;9-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecane;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine;4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;4-[(2-methylpropan-2-yl)oxy]-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one
CID 159575079
tert-butyl 4-[1-(methoxymethyl)piperidin-4-yl]oxypiperidine-1-carboxylate
CID 176576765
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine
CID 165146040
1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488979
5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol
CID 164735629
1-[3-(3-methylazetidin-1-yl)propyl]-4-(3-methylcyclobutyl)oxypiperidine
CID 167594175

Frequently Asked Questions

What is the IUPAC name of [1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate?
The IUPAC name of [1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate (CID 146331920) is [1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for [1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate?
The canonical SMILES for [1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate is CC(C)(C)OC1CC(OC2CCN(CCCC#CCOC(C)(C)CC(C)(C)N3CC(OC(=O)N4CCC(OC5CC(OC(C)(C)C)C5)CC4)C3)CC2)C1.
What is the InChIKey of [1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate?
The InChIKey is XDZNHBLGUXRBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H75N3O7/c1-40(2,3)52-36-25-34(26-36)49-32-15-20-44(21-16-32)19-13-11-12-14-24-48-43(9,10)31-42(7,8)46-29-38(30-46)51-39(47)45-22-17-33(18-23-45)50-35-27-37(28-35)53-41(4,5)6/h32-38H,11,13,15-31H2,1-10H3.
What are the key properties of [1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate?
[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate has a molecular weight of 746.09 g/mol, XLogP of 7.21, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl] 4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 146331920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).