tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate

C20H30N2O4 — CID 52512093

IUPACtert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCOc1ccccc1C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H30N2O4/c1-20(2,3)26-19(24)21(4)13-15-9-8-12-22(14-15)18(23)16-10-6-7-11-17(16)25-5/h6-7,10-11,15H,8-9,12-14H2,1-5H3/t15-/m0/s1
InChIKeyHSJLWDCYDFXMKG-HNNXBMFYSA-N
MW362.47 g/mol
LogP3.41
Rot. Bonds4

About tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate

tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate (PubChem CID 52512093) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate
PubChem CID52512093
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCOc1ccccc1C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H30N2O4/c1-20(2,3)26-19(24)21(4)13-15-9-8-12-22(14-15)18(23)16-10-6-7-11-17(16)25-5/h6-7,10-11,15H,8-9,12-14H2,1-5H3/t15-/m0/s1
InChIKeyHSJLWDCYDFXMKG-HNNXBMFYSA-N
XLogP3.41
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[1-(2-benzoylbenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 60587387
tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
CID 94806593
tert-butyl N-[[1-[3-(2-methoxyphenyl)but-2-enoyl]piperidin-4-yl]methyl]-N-methylcarbamate
CID 72686727
tert-butyl N-methyl-N-[[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]carbamate
CID 94831472
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95295492
tert-butyl N-methyl-N-[[1-[(2-propan-2-yloxyphenyl)carbamoyl]piperidin-3-yl]methyl]carbamate
CID 56520071
tert-butyl N-methyl-N-[[1-[[2-(trifluoromethoxy)phenyl]carbamoyl]piperidin-3-yl]methyl]carbamate
CID 56519300
tert-butyl N-methyl-N-[[(3S)-1-[4-(phenoxymethyl)benzoyl]piperidin-3-yl]methyl]carbamate
CID 95154618
tert-butyl N-[[1-[(3,5-dimethoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 56520190
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 47796215

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate (CID 52512093) is tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate is COc1ccccc1C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate?
The InChIKey is HSJLWDCYDFXMKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-20(2,3)26-19(24)21(4)13-15-9-8-12-22(14-15)18(23)16-10-6-7-11-17(16)25-5/h6-7,10-11,15H,8-9,12-14H2,1-5H3/t15-/m0/s1.
What are the key properties of tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate has a molecular weight of 362.47 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 52512093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).