N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen

C24H32N2O2 — CID 157250724

IUPACN-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen
SMILESO=C(N[C@H]1CC2(CCN(C3CCCCC3)CC2)c2ccccc21)c1ccoc1.[H][H]
InChIInChI=1S/C24H30N2O2.H2/c27-23(18-10-15-28-17-18)25-22-16-24(21-9-5-4-8-20(21)22)11-13-26(14-12-24)19-6-2-1-3-7-19;/h4-5,8-10,15,17,19,22H,1-3,6-7,11-14,16H2,(H,25,27);1H/t22-;/m0./s1
InChIKeyAWHQSCKGVHRGJE-FTBISJDPSA-N
MW380.53 g/mol
LogP5.07
Rot. Bonds3

About N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen

N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen (PubChem CID 157250724) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen
PubChem CID157250724
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen
SMILESO=C(N[C@H]1CC2(CCN(C3CCCCC3)CC2)c2ccccc21)c1ccoc1.[H][H]
InChIInChI=1S/C24H30N2O2.H2/c27-23(18-10-15-28-17-18)25-22-16-24(21-9-5-4-8-20(21)22)11-13-26(14-12-24)19-6-2-1-3-7-19;/h4-5,8-10,15,17,19,22H,1-3,6-7,11-14,16H2,(H,25,27);1H/t22-;/m0./s1
InChIKeyAWHQSCKGVHRGJE-FTBISJDPSA-N
XLogP5.07
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen?
The IUPAC name of N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen (CID 157250724) is N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen is O=C(N[C@H]1CC2(CCN(C3CCCCC3)CC2)c2ccccc21)c1ccoc1.[H][H].
What is the InChIKey of N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen?
The InChIKey is AWHQSCKGVHRGJE-FTBISJDPSA-N. The full InChI is InChI=1S/C24H30N2O2.H2/c27-23(18-10-15-28-17-18)25-22-16-24(21-9-5-4-8-20(21)22)11-13-26(14-12-24)19-6-2-1-3-7-19;/h4-5,8-10,15,17,19,22H,1-3,6-7,11-14,16H2,(H,25,27);1H/t22-;/m0./s1.
What are the key properties of N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen?
N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen has a molecular weight of 380.53 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 157250724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).