tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate

C19H28N2O3 — CID 94806593

IUPACtert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)20(4)13-15-9-8-12-21(14-15)17(22)16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,12-14H2,1-4H3/t15-/m0/s1
InChIKeyPFHCPNOZFGMNOB-HNNXBMFYSA-N
MW332.44 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate

tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate (PubChem CID 94806593) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
PubChem CID94806593
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)20(4)13-15-9-8-12-21(14-15)17(22)16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,12-14H2,1-4H3/t15-/m0/s1
InChIKeyPFHCPNOZFGMNOB-HNNXBMFYSA-N
XLogP3.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[1-(2-benzoylbenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 60587387
tert-butyl N-methyl-N-[[(3S)-1-[4-(phenoxymethyl)benzoyl]piperidin-3-yl]methyl]carbamate
CID 95154618
tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 52512093
tert-butyl N-[[1-(3-benzamidobutanoyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 47796330
tert-butyl N-[[1-(5-ethylfuran-2-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 47796215
tert-butyl N-methyl-N-[[1-(1-oxo-2H-isoquinoline-3-carbonyl)piperidin-3-yl]methyl]carbamate
CID 47796274
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 66566198
tert-butyl N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 51131983
tert-butyl N-methyl-N-[[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]carbamate
CID 94831472
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
tert-butyl N-[[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 52754533
tert-butyl N-[[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 49027887

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate (CID 94806593) is tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate is CN(C[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate?
The InChIKey is PFHCPNOZFGMNOB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)20(4)13-15-9-8-12-21(14-15)17(22)16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,12-14H2,1-4H3/t15-/m0/s1.
What are the key properties of tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate has a molecular weight of 332.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 94806593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).