(3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide

C23H27N3O2 — CID 97400207

IUPAC(3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide
SMILESO=C(N[C@H]1CC2(CCN(c3cccnc3)CC2)c2ccccc21)[C@H]1CCOC1
InChIInChI=1S/C23H27N3O2/c27-22(17-7-13-28-16-17)25-21-14-23(20-6-2-1-5-19(20)21)8-11-26(12-9-23)18-4-3-10-24-15-18/h1-6,10,15,17,21H,7-9,11-14,16H2,(H,25,27)/t17-,21-/m0/s1
InChIKeyCHTFLRIICXSXBH-UWJYYQICSA-N
MW377.49 g/mol
LogP3.22
Rot. Bonds3

About (3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide

(3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide (PubChem CID 97400207) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide
PubChem CID97400207
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide
SMILESO=C(N[C@H]1CC2(CCN(c3cccnc3)CC2)c2ccccc21)[C@H]1CCOC1
InChIInChI=1S/C23H27N3O2/c27-22(17-7-13-28-16-17)25-21-14-23(20-6-2-1-5-19(20)21)8-11-26(12-9-23)18-4-3-10-24-15-18/h1-6,10,15,17,21H,7-9,11-14,16H2,(H,25,27)/t17-,21-/m0/s1
InChIKeyCHTFLRIICXSXBH-UWJYYQICSA-N
XLogP3.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
CID 160771427
N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide
CID 58815775
N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]methanesulfonamide
CID 134073246
N-[1'-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanesulfonamide
CID 131654115
N,N-dimethyl-1-[[(2R)-oxolane-2-carbonyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 131653154
N-[(1R)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide
CID 69401295
N-cyclobutyl-2-[1'-(oxane-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131650515
N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 70957798
N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433832
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662358
N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 71193378
(3R)-3,8-dipyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 97394818

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide (CID 97400207) is (3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide is O=C(N[C@H]1CC2(CCN(c3cccnc3)CC2)c2ccccc21)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide?
The InChIKey is CHTFLRIICXSXBH-UWJYYQICSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(17-7-13-28-16-17)25-21-14-23(20-6-2-1-5-19(20)21)8-11-26(12-9-23)18-4-3-10-24-15-18/h1-6,10,15,17,21H,7-9,11-14,16H2,(H,25,27)/t17-,21-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide?
(3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1'-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]oxolane-3-carboxamide is sourced from PubChem (CID 97400207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).