tert-butyl N-(3-methoxypiperidin-4-yl)carbamate

C11H22N2O3 — CID 76599311

IUPACtert-butyl N-(3-methoxypiperidin-4-yl)carbamate
SMILESCOC1CNCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-8-5-6-12-7-9(8)15-4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyBSSCFNOPCQQJAZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.89
Rot. Bonds2

About tert-butyl N-(3-methoxypiperidin-4-yl)carbamate

tert-butyl N-(3-methoxypiperidin-4-yl)carbamate (PubChem CID 76599311) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-(3-methoxypiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methoxypiperidin-4-yl)carbamate
PubChem CID76599311
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-(3-methoxypiperidin-4-yl)carbamate
SMILESCOC1CNCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-8-5-6-12-7-9(8)15-4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyBSSCFNOPCQQJAZ-UHFFFAOYSA-N
XLogP0.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
CID 69182337
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-(5-fluoroazepan-4-yl)carbamate
CID 86680071
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
CID 138108864
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732
tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate
CID 107244169

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methoxypiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methoxypiperidin-4-yl)carbamate (CID 76599311) is tert-butyl N-(3-methoxypiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methoxypiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methoxypiperidin-4-yl)carbamate is COC1CNCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-methoxypiperidin-4-yl)carbamate?
The InChIKey is BSSCFNOPCQQJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-8-5-6-12-7-9(8)15-4/h8-9,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-(3-methoxypiperidin-4-yl)carbamate?
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methoxypiperidin-4-yl)carbamate is sourced from PubChem (CID 76599311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).