(6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid

C21H21NO3 — CID 122616466

IUPAC(6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC[C@@]1(CCCN(c3ccccc3)C1=O)C2
InChIInChI=1S/C21H21NO3/c23-19(24)16-7-8-17-14-21(11-9-15(17)13-16)10-4-12-22(20(21)25)18-5-2-1-3-6-18/h1-3,5-8,13H,4,9-12,14H2,(H,23,24)/t21-/m0/s1
InChIKeyBRZUILADGKSGCT-NRFANRHFSA-N
MW335.40 g/mol
LogP3.69
Rot. Bonds2

About (6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid

(6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid (PubChem CID 122616466) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid
PubChem CID122616466
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC[C@@]1(CCCN(c3ccccc3)C1=O)C2
InChIInChI=1S/C21H21NO3/c23-19(24)16-7-8-17-14-21(11-9-15(17)13-16)10-4-12-22(20(21)25)18-5-2-1-3-6-18/h1-3,5-8,13H,4,9-12,14H2,(H,23,24)/t21-/m0/s1
InChIKeyBRZUILADGKSGCT-NRFANRHFSA-N
XLogP3.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-hydroxyacetyl)-1'-phenylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one
CID 157292109
(6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616409
(6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616608
(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616298
(6R)-1'-cyclobutyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
CID 122616327
N-hydroxy-1'-methyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-azocane]-2-carboxamide
CID 122616612
N-hydroxy-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 140747820
(7S)-N-hydroxy-2'-oxo-1'-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619693
(6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane
CID 158047639
2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
CID 143201235
6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid
CID 84675953
methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
CID 122616255

Frequently Asked Questions

What is the IUPAC name of (6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid?
The IUPAC name of (6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid (CID 122616466) is (6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid.
What is the SMILES notation for (6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid?
The canonical SMILES for (6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid is O=C(O)c1ccc2c(c1)CC[C@@]1(CCCN(c3ccccc3)C1=O)C2.
What is the InChIKey of (6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid?
The InChIKey is BRZUILADGKSGCT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21NO3/c23-19(24)16-7-8-17-14-21(11-9-15(17)13-16)10-4-12-22(20(21)25)18-5-2-1-3-6-18/h1-3,5-8,13H,4,9-12,14H2,(H,23,24)/t21-/m0/s1.
What are the key properties of (6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid?
(6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid is sourced from PubChem (CID 122616466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).