6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

C23H25FN2O2 — CID 44583234

IUPAC6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CCc3cc(F)ccc3O2)CC1
InChIInChI=1S/C23H25FN2O2/c24-18-6-7-21-17(14-18)8-9-23(28-21)10-12-26(13-11-23)22(27)25-20-15-19(20)16-4-2-1-3-5-16/h1-7,14,19-20H,8-13,15H2,(H,25,27)/t19-,20+/m1/s1
InChIKeyIUTAFCQVIUFADT-UXHICEINSA-N
MW380.46 g/mol
LogP4.25
Rot. Bonds2

About 6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 44583234) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
PubChem CID44583234
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CCc3cc(F)ccc3O2)CC1
InChIInChI=1S/C23H25FN2O2/c24-18-6-7-21-17(14-18)8-9-23(28-21)10-12-26(13-11-23)22(27)25-20-15-19(20)16-4-2-1-3-5-16/h1-7,14,19-20H,8-13,15H2,(H,25,27)/t19-,20+/m1/s1
InChIKeyIUTAFCQVIUFADT-UXHICEINSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 44583234) is 6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CCc3cc(F)ccc3O2)CC1.
What is the InChIKey of 6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is IUTAFCQVIUFADT-UXHICEINSA-N. The full InChI is InChI=1S/C23H25FN2O2/c24-18-6-7-21-17(14-18)8-9-23(28-21)10-12-26(13-11-23)22(27)25-20-15-19(20)16-4-2-1-3-5-16/h1-7,14,19-20H,8-13,15H2,(H,25,27)/t19-,20+/m1/s1.
What are the key properties of 6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44583234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).