tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate

C18H23N3O4 — CID 131732939

IUPACtert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CNCCC1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)20-13-10-19-9-8-14(13)21-15(22)11-6-4-5-7-12(11)16(21)23/h4-7,13-14,19H,8-10H2,1-3H3,(H,20,24)
InChIKeyQULUITMQXJRHBH-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.54
Rot. Bonds2

About tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate

tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate (PubChem CID 131732939) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate
PubChem CID131732939
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Nametert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CNCCC1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)20-13-10-19-9-8-14(13)21-15(22)11-6-4-5-7-12(11)16(21)23/h4-7,13-14,19H,8-10H2,1-3H3,(H,20,24)
InChIKeyQULUITMQXJRHBH-UHFFFAOYSA-N
XLogP1.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
CID 163830103
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 86648783
tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
CID 138108864
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate
CID 122360424
tert-butyl N-[(3S,4S)-4-(4-thiophen-2-yltriazol-1-yl)piperidin-3-yl]carbamate
CID 46192904
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]carbamate
CID 140853603
cis-(1,3-dioxoisoindol-2-yl) (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctane-1-carboxylate
CID 178195175

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate (CID 131732939) is tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CNCCC1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate?
The InChIKey is QULUITMQXJRHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)20-13-10-19-9-8-14(13)21-15(22)11-6-4-5-7-12(11)16(21)23/h4-7,13-14,19H,8-10H2,1-3H3,(H,20,24).
What are the key properties of tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate?
tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate has a molecular weight of 345.40 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1,3-dioxoisoindol-2-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 131732939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).