N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide

C21H30N2O2 — CID 125438640

IUPACN-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
SMILESO=C(NCC[C@@H]1CCCOC1)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C21H30N2O2/c24-20(22-12-8-17-4-3-15-25-16-17)23-13-10-21(11-14-23)9-7-18-5-1-2-6-19(18)21/h1-2,5-6,17H,3-4,7-16H2,(H,22,24)/t17-/m0/s1
InChIKeyCNHIJXUSQQYPEH-KRWDZBQOSA-N
MW342.48 g/mol
LogP3.49
Rot. Bonds3

About N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide

N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide (PubChem CID 125438640) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
PubChem CID125438640
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
SMILESO=C(NCC[C@@H]1CCCOC1)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C21H30N2O2/c24-20(22-12-8-17-4-3-15-25-16-17)23-13-10-21(11-14-23)9-7-18-5-1-2-6-19(18)21/h1-2,5-6,17H,3-4,7-16H2,(H,22,24)/t17-/m0/s1
InChIKeyCNHIJXUSQQYPEH-KRWDZBQOSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide (CID 125438640) is N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide is O=C(NCC[C@@H]1CCCOC1)N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
The InChIKey is CNHIJXUSQQYPEH-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(22-12-8-17-4-3-15-25-16-17)23-13-10-21(11-14-23)9-7-18-5-1-2-6-19(18)21/h1-2,5-6,17H,3-4,7-16H2,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 125438640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).