N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide

C22H25N3O2 — CID 44583290

IUPACN-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CCc3ncccc3O2)CC1
InChIInChI=1S/C22H25N3O2/c26-21(24-19-15-17(19)16-5-2-1-3-6-16)25-13-10-22(11-14-25)9-8-18-20(27-22)7-4-12-23-18/h1-7,12,17,19H,8-11,13-15H2,(H,24,26)/t17-,19+/m1/s1
InChIKeyNZZBOICLIUBLLK-MJGOQNOKSA-N
MW363.46 g/mol
LogP3.51
Rot. Bonds2

About N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide

N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide (PubChem CID 44583290) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide
PubChem CID44583290
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CCc3ncccc3O2)CC1
InChIInChI=1S/C22H25N3O2/c26-21(24-19-15-17(19)16-5-2-1-3-6-16)25-13-10-22(11-14-25)9-8-18-20(27-22)7-4-12-23-18/h1-7,12,17,19H,8-11,13-15H2,(H,24,26)/t17-,19+/m1/s1
InChIKeyNZZBOICLIUBLLK-MJGOQNOKSA-N
XLogP3.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide (CID 44583290) is N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide is O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CCc3ncccc3O2)CC1.
What is the InChIKey of N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide?
The InChIKey is NZZBOICLIUBLLK-MJGOQNOKSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(24-19-15-17(19)16-5-2-1-3-6-16)25-13-10-22(11-14-25)9-8-18-20(27-22)7-4-12-23-18/h1-7,12,17,19H,8-11,13-15H2,(H,24,26)/t17-,19+/m1/s1.
What are the key properties of N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide?
N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44583290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).