3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one

C19H19ClN2O3 — CID 95724033

IUPAC3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C19H19ClN2O3/c20-15-9-13(11-21-17(15)24)18(25)22-7-5-19(6-8-22)14-4-2-1-3-12(14)10-16(19)23/h1-4,9,11,16,23H,5-8,10H2,(H,21,24)/t16-/m0/s1
InChIKeySMAGALZEJZRUBW-INIZCTEOSA-N
MW358.83 g/mol
LogP2.12
Rot. Bonds1

About 3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one

3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one (PubChem CID 95724033) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
PubChem CID95724033
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C19H19ClN2O3/c20-15-9-13(11-21-17(15)24)18(25)22-7-5-19(6-8-22)14-4-2-1-3-12(14)10-16(19)23/h1-4,9,11,16,23H,5-8,10H2,(H,21,24)/t16-/m0/s1
InChIKeySMAGALZEJZRUBW-INIZCTEOSA-N
XLogP2.12
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 56894274
1'-[3-(1-Piperazinyl)propanoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56909026
5-({(2R*,3R*)-3-[ethyl(methyl)amino]-2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl}carbonyl)-2(1H)-pyridinone
CID 28230624
1-[3-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-3-oxopropyl]-6-methyl-2(1H)-pyridinone
CID 56883596
2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)carbonyl]-4-methylnicotinonitrile
CID 56883789
4-hydroxy-5-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
CID 56887309
1'-[(3E)-3-pentenoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56889620
1-{3-[(2R*,3R*)-3-amino-2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl]-3-oxopropyl}-2(1H)-pyridinone
CID 56896466
(2R*,3R*)-3-amino-1'-[(2-hydroxy-3-pyridinyl)carbonyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56904892
3-chloro-5-[(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)carbonyl]-2(1H)-pyridinone
CID 56909355
1-(2-Hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one
CID 72078571
1-[3-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 95708383

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one (CID 95724033) is 3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC2(CC1)c1ccccc1C[C@@H]2O.
What is the InChIKey of 3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one?
The InChIKey is SMAGALZEJZRUBW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-15-9-13(11-21-17(15)24)18(25)22-7-5-19(6-8-22)14-4-2-1-3-12(14)10-16(19)23/h1-4,9,11,16,23H,5-8,10H2,(H,21,24)/t16-/m0/s1.
What are the key properties of 3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one has a molecular weight of 358.83 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 95724033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).