N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide

C29H31N3O4 — CID 42162636

IUPACN-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
SMILESCCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)[C@@H](O)c1ccccc1)CC2
InChIInChI=1S/C29H31N3O4/c1-2-36-26-24(31-27(34)21-11-8-16-30-19-21)22-12-6-7-13-23(22)29(26)14-17-32(18-15-29)28(35)25(33)20-9-4-3-5-10-20/h3-13,16,19,24-26,33H,2,14-15,17-18H2,1H3,(H,31,34)/t24-,25+,26+/m1/s1
InChIKeyHBVPCGUHPRBDEM-ZNZIZOMTSA-N
MW485.58 g/mol
LogP3.57
Rot. Bonds6

About N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide

N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide (PubChem CID 42162636) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
PubChem CID42162636
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC NameN-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
SMILESCCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)[C@@H](O)c1ccccc1)CC2
InChIInChI=1S/C29H31N3O4/c1-2-36-26-24(31-27(34)21-11-8-16-30-19-21)22-12-6-7-13-23(22)29(26)14-17-32(18-15-29)28(35)25(33)20-9-4-3-5-10-20/h3-13,16,19,24-26,33H,2,14-15,17-18H2,1H3,(H,31,34)/t24-,25+,26+/m1/s1
InChIKeyHBVPCGUHPRBDEM-ZNZIZOMTSA-N
XLogP3.57
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 42248211
N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 42248559
N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 133118576
N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide
CID 56914894
N-[(1R,2R)-1'-[(E)-4-methylpent-2-enoyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 26279563
N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42339903
N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42167159
N-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 42246293
N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42274264
N-[(1S,2S)-1'-[(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
CID 133132039
N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
CID 42190119
N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 133117847

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide (CID 42162636) is N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide is CCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)[C@@H](O)c1ccccc1)CC2.
What is the InChIKey of N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?
The InChIKey is HBVPCGUHPRBDEM-ZNZIZOMTSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-2-36-26-24(31-27(34)21-11-8-16-30-19-21)22-12-6-7-13-23(22)29(26)14-17-32(18-15-29)28(35)25(33)20-9-4-3-5-10-20/h3-13,16,19,24-26,33H,2,14-15,17-18H2,1H3,(H,31,34)/t24-,25+,26+/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?
N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide has a molecular weight of 485.58 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethoxy-1'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42162636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).