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

C19H28N2O2 — CID 70755933

IUPACN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide
SMILESCO[C@H]1[C@H](NC(=O)CC(C)C)c2ccccc2C12CCNCC2
InChIInChI=1S/C19H28N2O2/c1-13(2)12-16(22)21-17-14-6-4-5-7-15(14)19(18(17)23-3)8-10-20-11-9-19/h4-7,13,17-18,20H,8-12H2,1-3H3,(H,21,22)/t17-,18+/m1/s1
InChIKeyDEJOTFGICPDTAP-MSOLQXFVSA-N
MW316.45 g/mol
LogP2.54
Rot. Bonds4

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

N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide (PubChem CID 70755933) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide
PubChem CID70755933
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide
SMILESCO[C@H]1[C@H](NC(=O)CC(C)C)c2ccccc2C12CCNCC2
InChIInChI=1S/C19H28N2O2/c1-13(2)12-16(22)21-17-14-6-4-5-7-15(14)19(18(17)23-3)8-10-20-11-9-19/h4-7,13,17-18,20H,8-12H2,1-3H3,(H,21,22)/t17-,18+/m1/s1
InChIKeyDEJOTFGICPDTAP-MSOLQXFVSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide?
The IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide (CID 70755933) is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide?
The canonical SMILES for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide is CO[C@H]1[C@H](NC(=O)CC(C)C)c2ccccc2C12CCNCC2.
What is the InChIKey of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide?
The InChIKey is DEJOTFGICPDTAP-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)12-16(22)21-17-14-6-4-5-7-15(14)19(18(17)23-3)8-10-20-11-9-19/h4-7,13,17-18,20H,8-12H2,1-3H3,(H,21,22)/t17-,18+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide?
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide has a molecular weight of 316.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide is sourced from PubChem (CID 70755933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).