(3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine]

C17H24N2O — CID 134926302

IUPAC(3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine]
SMILESc1ccc([C@@H]2COC3CCCC4(CCCNC4)N32)cc1
InChIInChI=1S/C17H24N2O/c1-2-6-14(7-3-1)15-12-20-16-8-4-9-17(19(15)16)10-5-11-18-13-17/h1-3,6-7,15-16,18H,4-5,8-13H2/t15-,16?,17?/m0/s1
InChIKeyMMQSHCNGTHKFEW-GTPINHCMSA-N
MW272.39 g/mol
LogP2.69
Rot. Bonds1

About (3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine]

(3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine] (PubChem CID 134926302) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine].

Molecular Properties

Compound Name(3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine]
PubChem CID134926302
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine]
SMILESc1ccc([C@@H]2COC3CCCC4(CCCNC4)N32)cc1
InChIInChI=1S/C17H24N2O/c1-2-6-14(7-3-1)15-12-20-16-8-4-9-17(19(15)16)10-5-11-18-13-17/h1-3,6-7,15-16,18H,4-5,8-13H2/t15-,16?,17?/m0/s1
InChIKeyMMQSHCNGTHKFEW-GTPINHCMSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine] with MolForge

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Related Compounds

(2E)-2-[(3R,5S)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,2'-cyclopentane]-1'-ylidene]acetonitrile
CID 11483266
(3R,7aS)-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
CID 25229090
(3R,5R,8aS)-3,5-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 100924252
3-fluoro-3-(2-phenylcyclopropyl)piperidine
CID 116518677
5-[2-(1,3-dioxolan-2-yl)ethyl]-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole-5-carbonitrile
CID 85358055
6-phenyl-1,9-diazaspiro[4.5]decane
CID 91595107
7-benzyl-2,7-diazaspiro[5.6]dodecane
CID 82623667
(3R,5S,8aR)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3,5-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine
CID 15941490
spiro[2H-1-benzofuran-3,3'-piperidine];hydrochloride
CID 146155745
N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63133645
2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
CID 118741619
(1S,5S,7R,10S)-10-amino-7-phenyl-9-oxa-6-azatricyclo[8.4.0.01,6]tetradecane-5-carbonitrile
CID 11483757

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine]?
The IUPAC name of (3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine] (CID 134926302) is (3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine].
What is the SMILES notation for (3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine]?
The canonical SMILES for (3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine] is c1ccc([C@@H]2COC3CCCC4(CCCNC4)N32)cc1.
What is the InChIKey of (3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine]?
The InChIKey is MMQSHCNGTHKFEW-GTPINHCMSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-6-14(7-3-1)15-12-20-16-8-4-9-17(19(15)16)10-5-11-18-13-17/h1-3,6-7,15-16,18H,4-5,8-13H2/t15-,16?,17?/m0/s1.
What are the key properties of (3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine]?
(3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine] has a molecular weight of 272.39 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenylspiro[2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5,3'-piperidine] is sourced from PubChem (CID 134926302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).