1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one

C27H26N4O — CID 25173339

IUPAC1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccc3ccccc3c1)c1ccccc12
InChIInChI=1S/C27H26N4O/c1-29-17-14-28-25(29)19-30-15-12-27(13-16-30)23-8-4-5-9-24(23)31(26(27)32)22-11-10-20-6-2-3-7-21(20)18-22/h2-11,14,17-18H,12-13,15-16,19H2,1H3
InChIKeyCVAXLHVGKUTCQA-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.79
Rot. Bonds3

About 1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one

1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 25173339) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID25173339
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccc3ccccc3c1)c1ccccc12
InChIInChI=1S/C27H26N4O/c1-29-17-14-28-25(29)19-30-15-12-27(13-16-30)23-8-4-5-9-24(23)31(26(27)32)22-11-10-20-6-2-3-7-21(20)18-22/h2-11,14,17-18H,12-13,15-16,19H2,1H3
InChIKeyCVAXLHVGKUTCQA-UHFFFAOYSA-N
XLogP4.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Biphenyl-4-Yl)-8-[(1-Methyl-1h-Imidazol-2-Yl)methyl]-2,8-Diazaspiro[4.5]decan-1-One
CID 71748680
N-[2-(Diethylamino)ethyl]-4-(1H-imidazol-1-yl)-N-(1naphthalenyl)benzamide
CID 14664362
1-(3,4-Dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 25173666
1'-[(1-Methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one
CID 25173747
N-(7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-13-yl)-2-phenylacetamide
CID 44370189
1'-[(1-Methylimidazol-2-yl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 44462748
3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-N-propan-2-ylpropanamide
CID 44547186
3-Imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
CID 44547187
3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
CID 44547331
3-imidazol-1-yl-N,N,2,2-tetramethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
CID 44547332
6-[Imidazol-1-yl(phenyl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 58255346
3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one
CID 129104124

Frequently Asked Questions

What is the IUPAC name of 1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one (CID 25173339) is 1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one is Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccc3ccccc3c1)c1ccccc12.
What is the InChIKey of 1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is CVAXLHVGKUTCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-29-17-14-28-25(29)19-30-15-12-27(13-16-30)23-8-4-5-9-24(23)31(26(27)32)22-11-10-20-6-2-3-7-21(20)18-22/h2-11,14,17-18H,12-13,15-16,19H2,1H3.
What are the key properties of 1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one?
1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 422.53 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-methylimidazol-2-yl)methyl]-1-naphthalen-2-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 25173339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).