(3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide

C17H23N3O5 — CID 167206998

IUPAC(3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide
SMILESCOC1=C(C(=O)NC2CCC(=O)NC2=O)C[C@H]1N1C[C@@H]2C(CO)[C@@H]2C1
InChIInChI=1S/C17H23N3O5/c1-25-15-8(16(23)18-12-2-3-14(22)19-17(12)24)4-13(15)20-5-9-10(6-20)11(9)7-21/h9-13,21H,2-7H2,1H3,(H,18,23)(H,19,22,24)/t9-,10+,11?,12?,13-/m1/s1
InChIKeyFXFQINHCXJAMAG-OVIZCXLRSA-N
MW349.39 g/mol
LogP-1.25
Rot. Bonds5

About (3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide

(3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide (PubChem CID 167206998) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide
PubChem CID167206998
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name(3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide
SMILESCOC1=C(C(=O)NC2CCC(=O)NC2=O)C[C@H]1N1C[C@@H]2C(CO)[C@@H]2C1
InChIInChI=1S/C17H23N3O5/c1-25-15-8(16(23)18-12-2-3-14(22)19-17(12)24)4-13(15)20-5-9-10(6-20)11(9)7-21/h9-13,21H,2-7H2,1H3,(H,18,23)(H,19,22,24)/t9-,10+,11?,12?,13-/m1/s1
InChIKeyFXFQINHCXJAMAG-OVIZCXLRSA-N
XLogP-1.25
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide?
The IUPAC name of (3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide (CID 167206998) is (3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide.
What is the SMILES notation for (3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide?
The canonical SMILES for (3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide is COC1=C(C(=O)NC2CCC(=O)NC2=O)C[C@H]1N1C[C@@H]2C(CO)[C@@H]2C1.
What is the InChIKey of (3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide?
The InChIKey is FXFQINHCXJAMAG-OVIZCXLRSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-25-15-8(16(23)18-12-2-3-14(22)19-17(12)24)4-13(15)20-5-9-10(6-20)11(9)7-21/h9-13,21H,2-7H2,1H3,(H,18,23)(H,19,22,24)/t9-,10+,11?,12?,13-/m1/s1.
What are the key properties of (3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide?
(3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide has a molecular weight of 349.39 g/mol, XLogP of -1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide is sourced from PubChem (CID 167206998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).