tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate

C18H28N2O3 — CID 67080607

IUPACtert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate
SMILESCO[C@H]1CCNC[C@@H]1N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20(13-14-8-6-5-7-9-14)15-12-19-11-10-16(15)22-4/h5-9,15-16,19H,10-13H2,1-4H3/t15-,16-/m0/s1
InChIKeyAFADPKWTVZEDRM-HOTGVXAUSA-N
MW320.43 g/mol
LogP2.80
Rot. Bonds4

About tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate

tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate (PubChem CID 67080607) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate
PubChem CID67080607
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate
SMILESCO[C@H]1CCNC[C@@H]1N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20(13-14-8-6-5-7-9-14)15-12-19-11-10-16(15)22-4/h5-9,15-16,19H,10-13H2,1-4H3/t15-,16-/m0/s1
InChIKeyAFADPKWTVZEDRM-HOTGVXAUSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid
CID 168862112
tert-butyl N-benzyl-N-piperidin-3-ylcarbamate
CID 54456558
tert-butyl N-benzyl-N-[4-(2,5-difluorophenyl)pyrrolidin-3-yl]carbamate
CID 71272003
tert-butyl-[(3R,4R)-4-methoxypiperidin-3-yl]carbamic acid
CID 67045457
tert-butyl N-[(4-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 175016181
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
tert-butyl N-[(3-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 69427895
tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate
CID 163452966
ethyl (1S,2S,5R,6S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]bicyclo[3.1.0]hexane-6-carboxylate
CID 125180442
benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate
CID 68612218
tert-butyl N-benzyl-N-(1-benzyl-4-phenylpyrrolidin-3-yl)carbamate
CID 90406341
methyl 4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 126676707

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate (CID 67080607) is tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate is CO[C@H]1CCNC[C@@H]1N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate?
The InChIKey is AFADPKWTVZEDRM-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20(13-14-8-6-5-7-9-14)15-12-19-11-10-16(15)22-4/h5-9,15-16,19H,10-13H2,1-4H3/t15-,16-/m0/s1.
What are the key properties of tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate?
tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate is sourced from PubChem (CID 67080607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).