tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate

C22H36N2O3 — CID 129055302

IUPACtert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate
SMILESCOc1cccc(CC(C)(C)N2CCC(CNC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C22H36N2O3/c1-21(2,3)27-20(25)23-16-17-10-12-24(13-11-17)22(4,5)15-18-8-7-9-19(14-18)26-6/h7-9,14,17H,10-13,15-16H2,1-6H3,(H,23,25)
InChIKeyVQNVVVMFGCFXFB-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.25
Rot. Bonds6

About tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate (PubChem CID 129055302) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate
PubChem CID129055302
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Nametert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate
SMILESCOc1cccc(CC(C)(C)N2CCC(CNC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C22H36N2O3/c1-21(2,3)27-20(25)23-16-17-10-12-24(13-11-17)22(4,5)15-18-8-7-9-19(14-18)26-6/h7-9,14,17H,10-13,15-16H2,1-6H3,(H,23,25)
InChIKeyVQNVVVMFGCFXFB-UHFFFAOYSA-N
XLogP4.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate
CID 155730830
tert-butyl N-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]carbamate
CID 83980997
tert-butyl N-[[1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-4-yl]methyl]carbamate
CID 56571118
tert-butyl N-[2-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916612
tert-butyl N-[3-[[1-(3-methoxybenzoyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919237
2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide
CID 142459335
tert-butyl N-[[(3S)-1-[(2S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]carbamate
CID 90675587
N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 129055090
tert-butyl N-[3-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 55945960
tert-butyl N-[[1-[2-amino-6-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate
CID 142695524
tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate
CID 58504033
tert-butyl N-[(2S)-5-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]-5-oxopentan-2-yl]carbamate
CID 100654368

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate (CID 129055302) is tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate is COc1cccc(CC(C)(C)N2CCC(CNC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate?
The InChIKey is VQNVVVMFGCFXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-21(2,3)27-20(25)23-16-17-10-12-24(13-11-17)22(4,5)15-18-8-7-9-19(14-18)26-6/h7-9,14,17H,10-13,15-16H2,1-6H3,(H,23,25).
What are the key properties of tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate has a molecular weight of 376.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 129055302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).