methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate

C20H34N2O5 — CID 175871812

IUPACmethyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H34N2O5/c1-20(2,3)27-19(25)21(4)16-10-12-22(13-11-16)17(23)14-6-8-15(9-7-14)18(24)26-5/h14-16H,6-13H2,1-5H3
InChIKeyVYLUJUBDINKUPP-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.82
Rot. Bonds3

About methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate

methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate (PubChem CID 175871812) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate
PubChem CID175871812
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Namemethyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H34N2O5/c1-20(2,3)27-19(25)21(4)16-10-12-22(13-11-16)17(23)14-6-8-15(9-7-14)18(24)26-5/h14-16H,6-13H2,1-5H3
InChIKeyVYLUJUBDINKUPP-UHFFFAOYSA-N
XLogP2.82
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate
CID 18187514
methyl 4-[methoxycarbonyl(methyl)amino]cyclohexane-1-carboxylate
CID 115270421
tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
CID 91554229
cyclopropyl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60763903
methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate
CID 95299629
tert-butyl 4-[cyclopropanecarbonyl(methyl)amino]piperidine-1-carboxylate
CID 154576447
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
tert-butyl N-[(3R)-1-(2-chloroacetyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 66566130
methyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylate
CID 94014523
tert-butyl N-[1-(N,N'-dimethylcarbamimidoyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 75496357

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate (CID 175871812) is methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate?
The InChIKey is VYLUJUBDINKUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O5/c1-20(2,3)27-19(25)21(4)16-10-12-22(13-11-16)17(23)14-6-8-15(9-7-14)18(24)26-5/h14-16H,6-13H2,1-5H3.
What are the key properties of methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate?
methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate has a molecular weight of 382.50 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 175871812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).