1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one

C21H30N2O — CID 118742603

IUPAC1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CCC(N3CCCC3)c3ccccc32)CC1
InChIInChI=1S/C21H30N2O/c1-2-20(24)23-15-11-21(12-16-23)10-9-19(22-13-5-6-14-22)17-7-3-4-8-18(17)21/h3-4,7-8,19H,2,5-6,9-16H2,1H3
InChIKeyJWQIYBUUXKAOGC-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.89
Rot. Bonds2

About 1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one

1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one (PubChem CID 118742603) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one
PubChem CID118742603
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CCC(N3CCCC3)c3ccccc32)CC1
InChIInChI=1S/C21H30N2O/c1-2-20(24)23-15-11-21(12-16-23)10-9-19(22-13-5-6-14-22)17-7-3-4-8-18(17)21/h3-4,7-8,19H,2,5-6,9-16H2,1H3
InChIKeyJWQIYBUUXKAOGC-UHFFFAOYSA-N
XLogP3.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxycyclobutyl)-1-(1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethanone
CID 131697083
N-[2-(1-methylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide
CID 134075741
2-[1'-(2-cyclopentylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 131655151
1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone
CID 121229522
1-(dimethylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxamide
CID 131656953
2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
CID 131696461
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488
2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
CID 131652878
(1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone
CID 134073257
3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid
CID 107321063
2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
CID 131656932
ethene;1-pyrrolidin-1-ylpropan-1-one
CID 158024233

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one?
The IUPAC name of 1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one (CID 118742603) is 1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one?
The canonical SMILES for 1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one is CCC(=O)N1CCC2(CCC(N3CCCC3)c3ccccc32)CC1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one?
The InChIKey is JWQIYBUUXKAOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-2-20(24)23-15-11-21(12-16-23)10-9-19(22-13-5-6-14-22)17-7-3-4-8-18(17)21/h3-4,7-8,19H,2,5-6,9-16H2,1H3.
What are the key properties of 1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one?
1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one has a molecular weight of 326.48 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)propan-1-one is sourced from PubChem (CID 118742603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).