N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide

C18H30N2O — CID 43595645

IUPACN-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1CCNC2(CCCCC2)C1)C1CC2CCC1C2
InChIInChI=1S/C18H30N2O/c21-17(16-11-13-4-5-14(16)10-13)20-15-6-9-19-18(12-15)7-2-1-3-8-18/h13-16,19H,1-12H2,(H,20,21)
InChIKeyJJEHLXLXVGRCHX-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.99
Rot. Bonds2

About N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 43595645) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID43595645
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1CCNC2(CCCCC2)C1)C1CC2CCC1C2
InChIInChI=1S/C18H30N2O/c21-17(16-11-13-4-5-14(16)10-13)20-15-6-9-19-18(12-15)7-2-1-3-8-18/h13-16,19H,1-12H2,(H,20,21)
InChIKeyJJEHLXLXVGRCHX-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
N-(5-azaspiro[3.5]nonan-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476927
N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide
CID 83192678
N-(1-azaspiro[5.5]undecan-4-yl)-2-cyclobutylacetamide
CID 103164876
N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61366521
N-(1-azaspiro[5.5]undecan-4-yl)-2,2-dimethylbutanamide
CID 62678077
N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide
CID 82989505
N-(5-azaspiro[3.5]nonan-8-yl)prop-2-enamide
CID 43595252
N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64867434
N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide
CID 83136775
N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide
CID 43595670
N-(1-azaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutanamide
CID 103021353

Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 43595645) is N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NC1CCNC2(CCCCC2)C1)C1CC2CCC1C2.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is JJEHLXLXVGRCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c21-17(16-11-13-4-5-14(16)10-13)20-15-6-9-19-18(12-15)7-2-1-3-8-18/h13-16,19H,1-12H2,(H,20,21).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 43595645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).