(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

C27H36FN3O4 — CID 146899672

IUPAC(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
SMILESCOC1CCC2C(C1)CC1C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN2C(=O)COC[C@@H]12
InChIInChI=1S/C27H36FN3O4/c1-34-18-6-7-19-17(12-18)13-20-23-14-35-15-24(32)31(23)16-27(25(19)20)8-10-30(11-9-27)26(33)29-22-5-3-2-4-21(22)28/h2-5,17-20,23,25H,6-16H2,1H3,(H,29,33)/t17?,18?,19?,20?,23-,25?/m0/s1
InChIKeyYGPJBBCHHBQZNM-MIHIVLMXSA-N
MW485.60 g/mol
LogP3.75
Rot. Bonds2

About (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

(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 (PubChem CID 146899672) has the molecular formula C27H36FN3O4 and a molecular weight of 485.60 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146899672
Molecular FormulaC27H36FN3O4
Molecular Weight485.60 g/mol
Exact Mass485.27
IUPAC Name(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
SMILESCOC1CCC2C(C1)CC1C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN2C(=O)COC[C@@H]12
InChIInChI=1S/C27H36FN3O4/c1-34-18-6-7-19-17(12-18)13-20-23-14-35-15-24(32)31(23)16-27(25(19)20)8-10-30(11-9-27)26(33)29-22-5-3-2-4-21(22)28/h2-5,17-20,23,25H,6-16H2,1H3,(H,29,33)/t17?,18?,19?,20?,23-,25?/m0/s1
InChIKeyYGPJBBCHHBQZNM-MIHIVLMXSA-N
XLogP3.75
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.60
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 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
(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)-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
(1R)-2-acetyl-N-(2,4-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 146899683
(1R)-2-acetyl-N-(2,3-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 146899685
(1R)-2-acetyl-N-(2-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]-1'-carboxamide
CID 146899686

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COC1CCC2C(C1)CC1C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN2C(=O)COC[C@@H]12.
What is the InChIKey of (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?
The InChIKey is YGPJBBCHHBQZNM-MIHIVLMXSA-N. The full InChI is InChI=1S/C27H36FN3O4/c1-34-18-6-7-19-17(12-18)13-20-23-14-35-15-24(32)31(23)16-27(25(19)20)8-10-30(11-9-27)26(33)29-22-5-3-2-4-21(22)28/h2-5,17-20,23,25H,6-16H2,1H3,(H,29,33)/t17?,18?,19?,20?,23-,25?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 485.60 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146899672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).