[2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate

C21H37N3O4 — CID 153377376

IUPAC[2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate
SMILESCCOC(=O)ON1C(C)CC(N2CCC(C(=O)NC3(C)CCC3)CC2)CC1C
InChIInChI=1S/C21H37N3O4/c1-5-27-20(26)28-24-15(2)13-18(14-16(24)3)23-11-7-17(8-12-23)19(25)22-21(4)9-6-10-21/h15-18H,5-14H2,1-4H3,(H,22,25)
InChIKeyNYCIYINHWMLPIU-UHFFFAOYSA-N
MW395.54 g/mol
LogP3.09
Rot. Bonds5

About [2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate

[2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate (PubChem CID 153377376) has the molecular formula C21H37N3O4 and a molecular weight of 395.54 g/mol. Its IUPAC name is [2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate.

Molecular Properties

Compound Name[2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate
PubChem CID153377376
Molecular FormulaC21H37N3O4
Molecular Weight395.54 g/mol
Exact Mass395.28
IUPAC Name[2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate
SMILESCCOC(=O)ON1C(C)CC(N2CCC(C(=O)NC3(C)CCC3)CC2)CC1C
InChIInChI=1S/C21H37N3O4/c1-5-27-20(26)28-24-15(2)13-18(14-16(24)3)23-11-7-17(8-12-23)19(25)22-21(4)9-6-10-21/h15-18H,5-14H2,1-4H3,(H,22,25)
InChIKeyNYCIYINHWMLPIU-UHFFFAOYSA-N
XLogP3.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

but-2-ynyl 3-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 73438470
ethyl [4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]-2,6-dimethylpiperidin-1-yl] carbonate
CID 153377411
ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride
CID 159666252
1-(3-ethyl-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl)-N-(1-methylcyclobutyl)piperidine-4-carboxamide
CID 141395777
ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate
CID 155147928
N-(1-methylcyclopropyl)cyclopropanecarboxamide
CID 115634337
4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide
CID 104963781
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
ethyl 2-[4-(cyclobutylmethylcarbamoyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 73437708
trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130646724
N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide
CID 156541846

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate?
The IUPAC name of [2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate (CID 153377376) is [2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate.
What is the SMILES notation for [2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate?
The canonical SMILES for [2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate is CCOC(=O)ON1C(C)CC(N2CCC(C(=O)NC3(C)CCC3)CC2)CC1C.
What is the InChIKey of [2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate?
The InChIKey is NYCIYINHWMLPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O4/c1-5-27-20(26)28-24-15(2)13-18(14-16(24)3)23-11-7-17(8-12-23)19(25)22-21(4)9-6-10-21/h15-18H,5-14H2,1-4H3,(H,22,25).
What are the key properties of [2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate?
[2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate has a molecular weight of 395.54 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate is sourced from PubChem (CID 153377376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).