(1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate

C22H23FN2O4 — CID 91081985

IUPAC(1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
SMILESNC(=O)N1CCC(OC(=O)C2CC(O)c3ccc(F)cc32)C(c2ccccc2)C1
InChIInChI=1S/C22H23FN2O4/c23-14-6-7-15-16(10-14)17(11-19(15)26)21(27)29-20-8-9-25(22(24)28)12-18(20)13-4-2-1-3-5-13/h1-7,10,17-20,26H,8-9,11-12H2,(H2,24,28)
InChIKeyCNAWMTDRIGWSSS-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.83
Rot. Bonds3

About (1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate

(1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 91081985) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is (1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Name(1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID91081985
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name(1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
SMILESNC(=O)N1CCC(OC(=O)C2CC(O)c3ccc(F)cc32)C(c2ccccc2)C1
InChIInChI=1S/C22H23FN2O4/c23-14-6-7-15-16(10-14)17(11-19(15)26)21(27)29-20-8-9-25(22(24)28)12-18(20)13-4-2-1-3-5-13/h1-7,10,17-20,26H,8-9,11-12H2,(H2,24,28)
InChIKeyCNAWMTDRIGWSSS-UHFFFAOYSA-N
XLogP2.83
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate with MolForge

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Related Compounds

(1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 90930404
(1-carbamoyl-3-phenylpiperidin-4-yl) 4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate
CID 90957144
bis(cyclopropyl-[(3S,4R)-4-(4-fluorophenoxy)-3-phenylpiperidin-1-yl]methanone);hydrate
CID 70531461
1-(1-carbamoyl-3-phenylpiperidin-4-yl)-6-fluoro-3-oxo-2H-indene-1-carboxylic acid
CID 69335275
(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate
CID 91370091
bis(1-methyl-3-phenylpiperidin-4-yl) oxalate
CID 57154321
4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate
CID 22126600
4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide
CID 169224360
(3R,4S)-4-(4-fluorophenoxy)-1-methyl-3-phenylpiperidine
CID 12788468
1-(3-fluorophenyl)-2-[(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one
CID 70553042
1-[4-(3-methylphenoxy)-3-phenylpiperidin-1-yl]pentan-1-one
CID 57221143
1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-3-phenoxypropan-1-one
CID 50983338

Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of (1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate (CID 91081985) is (1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for (1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for (1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate is NC(=O)N1CCC(OC(=O)C2CC(O)c3ccc(F)cc32)C(c2ccccc2)C1.
What is the InChIKey of (1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is CNAWMTDRIGWSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c23-14-6-7-15-16(10-14)17(11-19(15)26)21(27)29-20-8-9-25(22(24)28)12-18(20)13-4-2-1-3-5-13/h1-7,10,17-20,26H,8-9,11-12H2,(H2,24,28).
What are the key properties of (1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate?
(1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 398.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-3-phenylpiperidin-4-yl) 6-fluoro-3-hydroxy-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 91081985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).