trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide

C25H30N2O — CID 53470097

IUPACtrans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCN1CCC2(CCc3ccccc32)CC1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C25H30N2O/c28-24(22-18-21(22)19-6-2-1-3-7-19)26-14-17-27-15-12-25(13-16-27)11-10-20-8-4-5-9-23(20)25/h1-9,21-22H,10-18H2,(H,26,28)/t21-,22+/m1/s1
InChIKeyWZXZTARUPLDZDE-YADHBBJMSA-N
MW374.53 g/mol
LogP3.89
Rot. Bonds5

About trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide (PubChem CID 53470097) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide
PubChem CID53470097
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Nametrans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCN1CCC2(CCc3ccccc32)CC1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C25H30N2O/c28-24(22-18-21(22)19-6-2-1-3-7-19)26-14-17-27-15-12-25(13-16-27)11-10-20-8-4-5-9-23(20)25/h1-9,21-22H,10-18H2,(H,26,28)/t21-,22+/m1/s1
InChIKeyWZXZTARUPLDZDE-YADHBBJMSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53470096
N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)naphthalene-2-carboxamide
CID 53470069
trans-(1S,2S)-N-[2-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 53469953
2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119446523
N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 53482033
cis-(1R,2S)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 51698986
cis-(1S,2R)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 51698983
2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide
CID 71036287
2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448623
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 80710988
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 95055116

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide (CID 53470097) is trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide is O=C(NCCN1CCC2(CCc3ccccc32)CC1)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is WZXZTARUPLDZDE-YADHBBJMSA-N. The full InChI is InChI=1S/C25H30N2O/c28-24(22-18-21(22)19-6-2-1-3-7-19)26-14-17-27-15-12-25(13-16-27)11-10-20-8-4-5-9-23(20)25/h1-9,21-22H,10-18H2,(H,26,28)/t21-,22+/m1/s1.
What are the key properties of trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 53470097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).