1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone

C21H28N2O2 — CID 72863540

IUPAC1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CCC3(CCc4ccccc43)CC2)C1
InChIInChI=1S/C21H28N2O2/c1-16(24)23-12-4-6-18(15-23)20(25)22-13-10-21(11-14-22)9-8-17-5-2-3-7-19(17)21/h2-3,5,7,18H,4,6,8-15H2,1H3
InChIKeyAWBYQXGEEKTBHQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.75
Rot. Bonds1

About 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone

1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone (PubChem CID 72863540) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone
PubChem CID72863540
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CCC3(CCc4ccccc43)CC2)C1
InChIInChI=1S/C21H28N2O2/c1-16(24)23-12-4-6-18(15-23)20(25)22-13-10-21(11-14-22)9-8-17-5-2-3-7-19(17)21/h2-3,5,7,18H,4,6,8-15H2,1H3
InChIKeyAWBYQXGEEKTBHQ-UHFFFAOYSA-N
XLogP2.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146087913
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155504807
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone
CID 107406558
3-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-carbonyl)piperidine-1-carboxamide
CID 167959767
9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72879124
1-[(3S)-3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]ethanone
CID 9041257
1-[(3R)-3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]ethanone
CID 9041261
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
CID 166613892

Frequently Asked Questions

What is the IUPAC name of 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone (CID 72863540) is 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(C(=O)N2CCC3(CCc4ccccc43)CC2)C1.
What is the InChIKey of 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is AWBYQXGEEKTBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16(24)23-12-4-6-18(15-23)20(25)22-13-10-21(11-14-22)9-8-17-5-2-3-7-19(17)21/h2-3,5,7,18H,4,6,8-15H2,1H3.
What are the key properties of 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone?
1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 340.47 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 72863540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).