6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide

C23H26N2O4 — CID 126472023

IUPAC6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc2c(c1)COC1(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC1)O2
InChIInChI=1S/C23H26N2O4/c1-27-18-7-8-21-17(13-18)15-28-23(29-21)9-11-25(12-10-23)22(26)24-20-14-19(20)16-5-3-2-4-6-16/h2-8,13,19-20H,9-12,14-15H2,1H3,(H,24,26)/t19-,20+/m0/s1
InChIKeyKGIVBODRDVPIGK-VQTJNVASSA-N
MW394.47 g/mol
LogP3.66
Rot. Bonds3

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

6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide (PubChem CID 126472023) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
PubChem CID126472023
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc2c(c1)COC1(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC1)O2
InChIInChI=1S/C23H26N2O4/c1-27-18-7-8-21-17(13-18)15-28-23(29-21)9-11-25(12-10-23)22(26)24-20-14-19(20)16-5-3-2-4-6-16/h2-8,13,19-20H,9-12,14-15H2,1H3,(H,24,26)/t19-,20+/m0/s1
InChIKeyKGIVBODRDVPIGK-VQTJNVASSA-N
XLogP3.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-(2-phenylcyclopropyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 75051608
6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 44583234
6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 126475482
1-(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone
CID 126473582
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide
CID 23790831
[6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone
CID 126472439
1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide
CID 177063229
4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 100728242
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
2-methanimidoyl-4-oxo-N-(2-phenylcyclopropyl)-3-(propan-2-ylamino)-1-oxa-9-azaspiro[5.5]undec-2-ene-9-carboxamide
CID 177063224

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide (CID 126472023) is 6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide is COc1ccc2c(c1)COC1(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC1)O2.
What is the InChIKey of 6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
The InChIKey is KGIVBODRDVPIGK-VQTJNVASSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-27-18-7-8-21-17(13-18)15-28-23(29-21)9-11-25(12-10-23)22(26)24-20-14-19(20)16-5-3-2-4-6-16/h2-8,13,19-20H,9-12,14-15H2,1H3,(H,24,26)/t19-,20+/m0/s1.
What are the key properties of 6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide?
6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 126472023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).