[1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate

C21H29N3O4 — CID 91333736

IUPAC[1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1CCN(CCCN2C(=O)CCCC2=O)CC1
InChIInChI=1S/C21H29N3O4/c25-19-8-4-9-20(26)24(19)13-5-12-23-14-10-18(11-15-23)28-21(27)22-16-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,22,27)
InChIKeyDLZHHSCADBLPHG-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.31
Rot. Bonds7

About [1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate

[1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate (PubChem CID 91333736) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is [1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate
PubChem CID91333736
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name[1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1CCN(CCCN2C(=O)CCCC2=O)CC1
InChIInChI=1S/C21H29N3O4/c25-19-8-4-9-20(26)24(19)13-5-12-23-14-10-18(11-15-23)28-21(27)22-16-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,22,27)
InChIKeyDLZHHSCADBLPHG-UHFFFAOYSA-N
XLogP2.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate
CID 175263184
(2-hydroxycyclohexyl) N-benzylcarbamate
CID 174552580
[1-[(E)-4-bromobut-2-enoyl]piperidin-4-yl] N-benzylcarbamate
CID 175537829
[1-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 59838143
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
CID 144638928
[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate
CID 66880105
2-[4-[3-(2,6-dioxopiperidin-1-yl)propyl]piperazin-1-yl]-2-phenylacetic acid
CID 69499695
(2-aminocyclohexyl) N-benzylcarbamate
CID 107654721
(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate
CID 177145440
5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium
CID 20625191
[3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate
CID 69474634
[2-(methylamino)cyclohexyl] N-benzylcarbamate
CID 107654729

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate?
The IUPAC name of [1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate (CID 91333736) is [1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate.
What is the SMILES notation for [1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate?
The canonical SMILES for [1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate is O=C(NCc1ccccc1)OC1CCN(CCCN2C(=O)CCCC2=O)CC1.
What is the InChIKey of [1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate?
The InChIKey is DLZHHSCADBLPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c25-19-8-4-9-20(26)24(19)13-5-12-23-14-10-18(11-15-23)28-21(27)22-16-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,22,27).
What are the key properties of [1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate?
[1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate has a molecular weight of 387.48 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate is sourced from PubChem (CID 91333736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).