N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H27N3O2 — CID 77084054

IUPACN-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NC1COC2(CCNCC2)C1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H27N3O2/c25-20(23-15-12-21(26-13-15)7-9-22-10-8-21)14-5-6-19-17(11-14)16-3-1-2-4-18(16)24-19/h5-6,11,15,22,24H,1-4,7-10,12-13H2,(H,23,25)
InChIKeyDUAHDWGBKLDSFB-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.69
Rot. Bonds2

About N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 77084054) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID77084054
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NC1COC2(CCNCC2)C1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H27N3O2/c25-20(23-15-12-21(26-13-15)7-9-22-10-8-21)14-5-6-19-17(11-14)16-3-1-2-4-18(16)24-19/h5-6,11,15,22,24H,1-4,7-10,12-13H2,(H,23,25)
InChIKeyDUAHDWGBKLDSFB-UHFFFAOYSA-N
XLogP2.69
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 77084054) is N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(NC1COC2(CCNCC2)C1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is DUAHDWGBKLDSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20(23-15-12-21(26-13-15)7-9-22-10-8-21)14-5-6-19-17(11-14)16-3-1-2-4-18(16)24-19/h5-6,11,15,22,24H,1-4,7-10,12-13H2,(H,23,25).
What are the key properties of N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 77084054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).