(5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone

C24H24N4O2 — CID 155870777

IUPAC(5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
SMILESCOc1cnc(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)nc1
InChIInChI=1S/C24H24N4O2/c1-30-19-15-25-22(26-16-19)23(29)27-13-11-24(12-14-27)17-28(18-7-3-2-4-8-18)21-10-6-5-9-20(21)24/h2-10,15-16H,11-14,17H2,1H3
InChIKeyDXUMWIYJDGIWFJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.81
Rot. Bonds3

About (5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone

(5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone (PubChem CID 155870777) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
PubChem CID155870777
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
SMILESCOc1cnc(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)nc1
InChIInChI=1S/C24H24N4O2/c1-30-19-15-25-22(26-16-19)23(29)27-13-11-24(12-14-27)17-28(18-7-3-2-4-8-18)21-10-6-5-9-20(21)24/h2-10,15-16H,11-14,17H2,1H3
InChIKeyDXUMWIYJDGIWFJ-UHFFFAOYSA-N
XLogP3.81
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methylfuran-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155874195
(2-fluoro-6-methylphenyl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155879689
(5-methylpyrazolidin-3-yl)-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 134077665
9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131686408
1-[4-[1'-[2-(dimethylamino)acetyl]spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 158557677
N-[1-(3-methoxyphenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18005003
ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 143140741
3-[4-[[4-[(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]methoxy]phenyl]hex-4-ynoic acid
CID 58230602
1-(1H-pyrrolo[2,3-b]pyridin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
CID 91053755
[(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843652
1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
CID 91562420
9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986041

Frequently Asked Questions

What is the IUPAC name of (5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone (CID 155870777) is (5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone is COc1cnc(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)nc1.
What is the InChIKey of (5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is DXUMWIYJDGIWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-30-19-15-25-22(26-16-19)23(29)27-13-11-24(12-14-27)17-28(18-7-3-2-4-8-18)21-10-6-5-9-20(21)24/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of (5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone?
(5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 400.48 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 155870777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).