N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide

C23H24N4O2 — CID 56898212

IUPACN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide
SMILESO=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C23H24N4O2/c28-21-20(18-7-1-2-8-19(18)23(21)9-12-24-13-10-23)26-22(29)16-5-3-6-17(15-16)27-14-4-11-25-27/h1-8,11,14-15,20-21,24,28H,9-10,12-13H2,(H,26,29)/t20-,21+/m1/s1
InChIKeyUZCYRCWDIDXNJA-RTWAWAEBSA-N
MW388.47 g/mol
LogP2.34
Rot. Bonds3

About N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide

N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide (PubChem CID 56898212) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide
PubChem CID56898212
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide
SMILESO=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C23H24N4O2/c28-21-20(18-7-1-2-8-19(18)23(21)9-12-24-13-10-23)26-22(29)16-5-3-6-17(15-16)27-14-4-11-25-27/h1-8,11,14-15,20-21,24,28H,9-10,12-13H2,(H,26,29)/t20-,21+/m1/s1
InChIKeyUZCYRCWDIDXNJA-RTWAWAEBSA-N
XLogP2.34
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide (CID 56898212) is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide is O=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide?
The InChIKey is UZCYRCWDIDXNJA-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-21-20(18-7-1-2-8-19(18)23(21)9-12-24-13-10-23)26-22(29)16-5-3-6-17(15-16)27-14-4-11-25-27/h1-8,11,14-15,20-21,24,28H,9-10,12-13H2,(H,26,29)/t20-,21+/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide?
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 56898212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).