3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

C18H27N3O2 — CID 56898735

IUPAC3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCO[C@H]1[C@H](NC(=O)CCN)c2ccccc2C12CCNCC2
InChIInChI=1S/C18H27N3O2/c1-2-23-17-16(21-15(22)7-10-19)13-5-3-4-6-14(13)18(17)8-11-20-12-9-18/h3-6,16-17,20H,2,7-12,19H2,1H3,(H,21,22)/t16-,17+/m1/s1
InChIKeyRUZGHNWVRQMFFZ-SJORKVTESA-N
MW317.43 g/mol
LogP1.23
Rot. Bonds5

About 3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (PubChem CID 56898735) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
PubChem CID56898735
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCO[C@H]1[C@H](NC(=O)CCN)c2ccccc2C12CCNCC2
InChIInChI=1S/C18H27N3O2/c1-2-23-17-16(21-15(22)7-10-19)13-5-3-4-6-14(13)18(17)8-11-20-12-9-18/h3-6,16-17,20H,2,7-12,19H2,1H3,(H,21,22)/t16-,17+/m1/s1
InChIKeyRUZGHNWVRQMFFZ-SJORKVTESA-N
XLogP1.23
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The IUPAC name of 3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (CID 56898735) is 3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.
What is the SMILES notation for 3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The canonical SMILES for 3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is CCO[C@H]1[C@H](NC(=O)CCN)c2ccccc2C12CCNCC2.
What is the InChIKey of 3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The InChIKey is RUZGHNWVRQMFFZ-SJORKVTESA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-23-17-16(21-15(22)7-10-19)13-5-3-4-6-14(13)18(17)8-11-20-12-9-18/h3-6,16-17,20H,2,7-12,19H2,1H3,(H,21,22)/t16-,17+/m1/s1.
What are the key properties of 3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is sourced from PubChem (CID 56898735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).