ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate

C23H41N3O3 — CID 155147928

IUPACethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate
SMILESCCOC(=O)N1C(C)CC(N2CCC(N(CC3(C)CCC3)C(C)=O)CC2)CC1C
InChIInChI=1S/C23H41N3O3/c1-6-29-22(28)26-17(2)14-21(15-18(26)3)24-12-8-20(9-13-24)25(19(4)27)16-23(5)10-7-11-23/h17-18,20-21H,6-16H2,1-5H3
InChIKeyMWUDHZTWPPMGAP-UHFFFAOYSA-N
MW407.60 g/mol
LogP3.89
Rot. Bonds5

About ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate

ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate (PubChem CID 155147928) has the molecular formula C23H41N3O3 and a molecular weight of 407.60 g/mol. Its IUPAC name is ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate
PubChem CID155147928
Molecular FormulaC23H41N3O3
Molecular Weight407.60 g/mol
Exact Mass407.31
IUPAC Nameethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate
SMILESCCOC(=O)N1C(C)CC(N2CCC(N(CC3(C)CCC3)C(C)=O)CC2)CC1C
InChIInChI=1S/C23H41N3O3/c1-6-29-22(28)26-17(2)14-21(15-18(26)3)24-12-8-20(9-13-24)25(19(4)27)16-23(5)10-7-11-23/h17-18,20-21H,6-16H2,1-5H3
InChIKeyMWUDHZTWPPMGAP-UHFFFAOYSA-N
XLogP3.89
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 2-[4-[acetyl-[(1-methoxycyclobutyl)methyl]amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 126511736
ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 155147916
[2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate
CID 153377376
ethyl 3-[4-(N-acetyl-2-methoxyanilino)piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11950491
2-[1-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-4-yl]-2-methoxyacetic acid
CID 138546212
ethyl 2-[4-[methyl-(1-methylcyclobutyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 155420170
ethyl 2-[4-[acetyl-(2-fluoro-2-methylpropyl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 126511707
ethyl 3-[4-(1,2-dimethoxy-2-oxoethyl)piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 138546211
but-2-ynyl 3-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 73438470
N-cyclohexyl-2-hydroxy-N-[1-(3-methylcyclobutyl)piperidin-4-yl]acetamide;methoxyethane
CID 143890152
ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748295
ethyl 3-[ethyl(methoxy)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 166890393

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate (CID 155147928) is ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate is CCOC(=O)N1C(C)CC(N2CCC(N(CC3(C)CCC3)C(C)=O)CC2)CC1C.
What is the InChIKey of ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is MWUDHZTWPPMGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O3/c1-6-29-22(28)26-17(2)14-21(15-18(26)3)24-12-8-20(9-13-24)25(19(4)27)16-23(5)10-7-11-23/h17-18,20-21H,6-16H2,1-5H3.
What are the key properties of ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate?
ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 407.60 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 155147928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).