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

C21H32N2O2 — CID 42246293

IUPACN-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCCN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)CC)[C@@H]2OCC
InChIInChI=1S/C21H32N2O2/c1-4-13-23-14-11-21(12-15-23)17-10-8-7-9-16(17)19(20(21)25-6-3)22-18(24)5-2/h7-10,19-20H,4-6,11-15H2,1-3H3,(H,22,24)/t19-,20+/m1/s1
InChIKeyYBJSEVWPRTWVLU-UXHICEINSA-N
MW344.50 g/mol
LogP3.42
Rot. Bonds6

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

N-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (PubChem CID 42246293) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
PubChem CID42246293
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCCN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)CC)[C@@H]2OCC
InChIInChI=1S/C21H32N2O2/c1-4-13-23-14-11-21(12-15-23)17-10-8-7-9-16(17)19(20(21)25-6-3)22-18(24)5-2/h7-10,19-20H,4-6,11-15H2,1-3H3,(H,22,24)/t19-,20+/m1/s1
InChIKeyYBJSEVWPRTWVLU-UXHICEINSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118755045
N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 42405344
N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 133126140
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)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide
CID 133120386
3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 56898735
N-[(1R,2R)-1'-(2-hydroxyethyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 118754439
N-[(1R,2R)-2-methoxy-1'-(2-phenylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 118756510
N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 42248211
N-[(1R,2R)-2-methoxy-1'-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 126463682
N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 26345479
N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 126463128

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The IUPAC name of N-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (CID 42246293) is N-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.
What is the SMILES notation for N-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The canonical SMILES for N-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is CCCN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)CC)[C@@H]2OCC.
What is the InChIKey of N-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The InChIKey is YBJSEVWPRTWVLU-UXHICEINSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-4-13-23-14-11-21(12-15-23)17-10-8-7-9-16(17)19(20(21)25-6-3)22-18(24)5-2/h7-10,19-20H,4-6,11-15H2,1-3H3,(H,22,24)/t19-,20+/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
N-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide has a molecular weight of 344.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is sourced from PubChem (CID 42246293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).