1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone

C28H43N3O — CID 142638311

IUPAC1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone
SMILESCC(=O)N1CC2CN(c3ccccc3)C3(CCN(C4CCCCCCCCC4)CC3)C2C1
InChIInChI=1S/C28H43N3O/c1-23(32)30-20-24-21-31(26-14-10-7-11-15-26)28(27(24)22-30)16-18-29(19-17-28)25-12-8-5-3-2-4-6-9-13-25/h7,10-11,14-15,24-25,27H,2-6,8-9,12-13,16-22H2,1H3
InChIKeyQLXVPBBDXPCEEE-UHFFFAOYSA-N
MW437.67 g/mol
LogP5.33
Rot. Bonds2

About 1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone

1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone (PubChem CID 142638311) has the molecular formula C28H43N3O and a molecular weight of 437.67 g/mol. Its IUPAC name is 1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone.

Molecular Properties

Compound Name1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone
PubChem CID142638311
Molecular FormulaC28H43N3O
Molecular Weight437.67 g/mol
Exact Mass437.34
IUPAC Name1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone
SMILESCC(=O)N1CC2CN(c3ccccc3)C3(CCN(C4CCCCCCCCC4)CC3)C2C1
InChIInChI=1S/C28H43N3O/c1-23(32)30-20-24-21-31(26-14-10-7-11-15-26)28(27(24)22-30)16-18-29(19-17-28)25-12-8-5-3-2-4-6-9-13-25/h7,10-11,14-15,24-25,27H,2-6,8-9,12-13,16-22H2,1H3
InChIKeyQLXVPBBDXPCEEE-UHFFFAOYSA-N
XLogP5.33
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone with MolForge

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Related Compounds

[5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]-pyridin-3-ylmethanone
CID 142638286
(E)-but-2-enedioic acid;7-cyclodecyl-1-phenyl-1,7-diazaspiro[3.5]nonane
CID 23298924
1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione
CID 142638309
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 28957439
5-phenyl-2-(2-phenylmethoxyethyl)-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]
CID 85298048
8-cyclododecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10000890
8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11781971
(E)-but-2-enedioic acid;8-cyclononyl-1-phenyl-1,8-diazaspiro[4.5]decan-4-one
CID 18002539
7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one
CID 23298903
1-[4-[(4R,5R)-4-hydroxy-2-phenyl-1-thia-2,7-diazaspiro[4.4]nonan-7-yl]piperidin-1-yl]ethanone
CID 146187132
8-(1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl)-1-phenyl-1,8-diazaspiro[4.5]decan-4-one;(E)-but-2-enedioic acid
CID 21268360
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632

Frequently Asked Questions

What is the IUPAC name of 1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone?
The IUPAC name of 1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone (CID 142638311) is 1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone.
What is the SMILES notation for 1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone?
The canonical SMILES for 1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone is CC(=O)N1CC2CN(c3ccccc3)C3(CCN(C4CCCCCCCCC4)CC3)C2C1.
What is the InChIKey of 1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone?
The InChIKey is QLXVPBBDXPCEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O/c1-23(32)30-20-24-21-31(26-14-10-7-11-15-26)28(27(24)22-30)16-18-29(19-17-28)25-12-8-5-3-2-4-6-9-13-25/h7,10-11,14-15,24-25,27H,2-6,8-9,12-13,16-22H2,1H3.
What are the key properties of 1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone?
1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone has a molecular weight of 437.67 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-cyclodecyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl)ethanone is sourced from PubChem (CID 142638311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).