methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C20H30N2O4 — CID 67597365

IUPACmethyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2O4/c1-20(2,3)26-19(24)22(15-18(23)25-4)17-10-12-21(13-11-17)14-16-8-6-5-7-9-16/h5-9,17H,10-15H2,1-4H3
InChIKeyMYTCELRJTBGGRI-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.06
Rot. Bonds5

About methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 67597365) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID67597365
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Namemethyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2O4/c1-20(2,3)26-19(24)22(15-18(23)25-4)17-10-12-21(13-11-17)14-16-8-6-5-7-9-16/h5-9,17H,10-15H2,1-4H3
InChIKeyMYTCELRJTBGGRI-UHFFFAOYSA-N
XLogP3.06
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
tert-butyl N-(1-benzylpiperidin-3-yl)-N-tert-butylcarbamate
CID 140627422
methyl 2-[4-[[4-[[(2-methylpropan-2-yl)oxycarbonyl-[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]phenyl]acetate
CID 129098198
tert-butyl (1-benzylpiperidin-4-yl)arsanylformate
CID 173186373
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate
CID 54190281
methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate
CID 19913817
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate
CID 167503825
tert-butyl N-(1-benzylpiperidin-4-yl)-N-[3-(4-isocyanophenoxy)propyl]carbamate
CID 58996395
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
CID 67330677
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
tert-butyl N-cyclopropyl-N-[2-[(2,2-dimethyl-3-phenylpropyl)amino]-2-oxoethyl]carbamate
CID 75511487
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 67597365) is methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is COC(=O)CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is MYTCELRJTBGGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-20(2,3)26-19(24)22(15-18(23)25-4)17-10-12-21(13-11-17)14-16-8-6-5-7-9-16/h5-9,17H,10-15H2,1-4H3.
What are the key properties of methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 362.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 67597365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).