(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide

C33H44FN3O3 — CID 146899690

IUPAC(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
SMILESCOC1CCC2C(C1)CC1C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN(CCc2ccccc2)[C@H]1CO
InChIInChI=1S/C33H44FN3O3/c1-40-25-11-12-26-24(19-25)20-27-30(21-38)37(16-13-23-7-3-2-4-8-23)22-33(31(26)27)14-17-36(18-15-33)32(39)35-29-10-6-5-9-28(29)34/h2-10,24-27,30-31,38H,11-22H2,1H3,(H,35,39)/t24?,25?,26?,27?,30-,31?/m0/s1
InChIKeyFHCJQQPTFLIBOP-ZOGYRECPSA-N
MW549.73 g/mol
LogP5.43
Rot. Bonds6

About (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide

(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (PubChem CID 146899690) has the molecular formula C33H44FN3O3 and a molecular weight of 549.73 g/mol. Its IUPAC name is (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
PubChem CID146899690
Molecular FormulaC33H44FN3O3
Molecular Weight549.73 g/mol
Exact Mass549.34
IUPAC Name(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
SMILESCOC1CCC2C(C1)CC1C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN(CCc2ccccc2)[C@H]1CO
InChIInChI=1S/C33H44FN3O3/c1-40-25-11-12-26-24(19-25)20-27-30(21-38)37(16-13-23-7-3-2-4-8-23)22-33(31(26)27)14-17-36(18-15-33)32(39)35-29-10-6-5-9-28(29)34/h2-10,24-27,30-31,38H,11-22H2,1H3,(H,35,39)/t24?,25?,26?,27?,30-,31?/m0/s1
InChIKeyFHCJQQPTFLIBOP-ZOGYRECPSA-N
XLogP5.43
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.73
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 144769506
(1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(methylaminomethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899592
(1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899636
(1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(methoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899637
(2R)-N-(2-fluorophenyl)-14-methoxy-6-oxospiro[4-oxa-7-azatetracyclo[8.7.0.02,7.011,16]heptadecane-9,4'-piperidine]-1'-carboxamide
CID 146899672
(1S)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899674
(1S)-2-acetyl-N-(2-fluorophenyl)-1-(2-hydroxyethyl)-7-methoxyspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899675
(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylacetyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899677
(1R)-N-(4-fluorophenyl)-1'-(3-fluorophenyl)sulfonyl-1-(hydroxymethyl)-7-methoxyspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-2-carboxamide
CID 146899678
(1R)-1'-(benzenesulfonyl)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-2-carboxamide
CID 146899679
(1R)-2-acetyl-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N-methylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899681
(1R)-2-acetyl-N-(2,5-difluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
CID 146899682

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (CID 146899690) is (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide is COC1CCC2C(C1)CC1C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN(CCc2ccccc2)[C@H]1CO.
What is the InChIKey of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?
The InChIKey is FHCJQQPTFLIBOP-ZOGYRECPSA-N. The full InChI is InChI=1S/C33H44FN3O3/c1-40-25-11-12-26-24(19-25)20-27-30(21-38)37(16-13-23-7-3-2-4-8-23)22-33(31(26)27)14-17-36(18-15-33)32(39)35-29-10-6-5-9-28(29)34/h2-10,24-27,30-31,38H,11-22H2,1H3,(H,35,39)/t24?,25?,26?,27?,30-,31?/m0/s1.
What are the key properties of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?
(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide has a molecular weight of 549.73 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(2-phenylethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 146899690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).