N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide

C25H32N2O2S — CID 171138159

IUPACN-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(CC=CC(C)C)CC2
InChIInChI=1S/C25H32N2O2S/c1-18(2)7-6-13-27-14-11-25(12-15-27)21-9-5-4-8-20(21)22(23(25)29-3)26-24(28)19-10-16-30-17-19/h4-10,16-18,22-23H,11-15H2,1-3H3,(H,26,28)/t22-,23+/m1/s1
InChIKeyVRHDQZNZGSZNNX-PKTZIBPZSA-N
MW424.61 g/mol
LogP4.79
Rot. Bonds6

About N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide

N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (PubChem CID 171138159) has the molecular formula C25H32N2O2S and a molecular weight of 424.61 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
PubChem CID171138159
Molecular FormulaC25H32N2O2S
Molecular Weight424.61 g/mol
Exact Mass424.22
IUPAC NameN-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(CC=CC(C)C)CC2
InChIInChI=1S/C25H32N2O2S/c1-18(2)7-6-13-27-14-11-25(12-15-27)21-9-5-4-8-20(21)22(23(25)29-3)26-24(28)19-10-16-30-17-19/h4-10,16-18,22-23H,11-15H2,1-3H3,(H,26,28)/t22-,23+/m1/s1
InChIKeyVRHDQZNZGSZNNX-PKTZIBPZSA-N
XLogP4.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (CID 171138159) is N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(CC=CC(C)C)CC2.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The InChIKey is VRHDQZNZGSZNNX-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H32N2O2S/c1-18(2)7-6-13-27-14-11-25(12-15-27)21-9-5-4-8-20(21)22(23(25)29-3)26-24(28)19-10-16-30-17-19/h4-10,16-18,22-23H,11-15H2,1-3H3,(H,26,28)/t22-,23+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide has a molecular weight of 424.61 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is sourced from PubChem (CID 171138159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).