N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen

C24H34N2O — CID 160771427

IUPACN-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
SMILESO=C(N[C@H]1CC2(CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c2ccccc21)C1CC1.[H][H]
InChIInChI=1S/C24H32N2O.H2/c27-23(17-7-8-17)25-21-15-24(20-4-2-1-3-19(20)21)9-11-26(12-10-24)22-14-16-5-6-18(22)13-16;/h1-4,16-18,21-22H,5-15H2,(H,25,27);1H/t16-,18+,21-,22+;/m0./s1
InChIKeyRZJGERHXUOVNPE-COIZAIPWSA-N
MW366.55 g/mol
LogP4.43
Rot. Bonds3

About N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen

N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen (PubChem CID 160771427) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
PubChem CID160771427
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
SMILESO=C(N[C@H]1CC2(CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c2ccccc21)C1CC1.[H][H]
InChIInChI=1S/C24H32N2O.H2/c27-23(17-7-8-17)25-21-15-24(20-4-2-1-3-19(20)21)9-11-26(12-10-24)22-14-16-5-6-18(22)13-16;/h1-4,16-18,21-22H,5-15H2,(H,25,27);1H/t16-,18+,21-,22+;/m0./s1
InChIKeyRZJGERHXUOVNPE-COIZAIPWSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?
The IUPAC name of N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen (CID 160771427) is N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen.
What is the SMILES notation for N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?
The canonical SMILES for N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen is O=C(N[C@H]1CC2(CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c2ccccc21)C1CC1.[H][H].
What is the InChIKey of N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?
The InChIKey is RZJGERHXUOVNPE-COIZAIPWSA-N. The full InChI is InChI=1S/C24H32N2O.H2/c27-23(17-7-8-17)25-21-15-24(20-4-2-1-3-19(20)21)9-11-26(12-10-24)22-14-16-5-6-18(22)13-16;/h1-4,16-18,21-22H,5-15H2,(H,25,27);1H/t16-,18+,21-,22+;/m0./s1.
What are the key properties of N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?
N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen has a molecular weight of 366.55 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen is sourced from PubChem (CID 160771427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).