N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide

C20H30N2O2 — CID 133120386

IUPACN-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide
SMILESCCO[C@@H]1[C@@H](NC(=O)CC(C)C)c2ccccc2C12CCNCC2
InChIInChI=1S/C20H30N2O2/c1-4-24-19-18(22-17(23)13-14(2)3)15-7-5-6-8-16(15)20(19)9-11-21-12-10-20/h5-8,14,18-19,21H,4,9-13H2,1-3H3,(H,22,23)/t18-,19+/m0/s1
InChIKeyBCQGNRQAPIQIJS-RBUKOAKNSA-N
MW330.47 g/mol
LogP2.93
Rot. Bonds5

About N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide

N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide (PubChem CID 133120386) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide
PubChem CID133120386
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide
SMILESCCO[C@@H]1[C@@H](NC(=O)CC(C)C)c2ccccc2C12CCNCC2
InChIInChI=1S/C20H30N2O2/c1-4-24-19-18(22-17(23)13-14(2)3)15-7-5-6-8-16(15)20(19)9-11-21-12-10-20/h5-8,14,18-19,21H,4,9-13H2,1-3H3,(H,22,23)/t18-,19+/m0/s1
InChIKeyBCQGNRQAPIQIJS-RBUKOAKNSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide?
The IUPAC name of N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide (CID 133120386) is N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide?
The canonical SMILES for N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide is CCO[C@@H]1[C@@H](NC(=O)CC(C)C)c2ccccc2C12CCNCC2.
What is the InChIKey of N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide?
The InChIKey is BCQGNRQAPIQIJS-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-24-19-18(22-17(23)13-14(2)3)15-7-5-6-8-16(15)20(19)9-11-21-12-10-20/h5-8,14,18-19,21H,4,9-13H2,1-3H3,(H,22,23)/t18-,19+/m0/s1.
What are the key properties of N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide?
N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide has a molecular weight of 330.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide is sourced from PubChem (CID 133120386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).