1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone

C25H30N2O3 — CID 23822619

IUPAC1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC3(CCN(C4CC4)CC3)c3cc(OC)ccc32)cc1
InChIInChI=1S/C25H30N2O3/c1-29-20-7-3-18(4-8-20)15-24(28)27-17-25(11-13-26(14-12-25)19-5-6-19)22-16-21(30-2)9-10-23(22)27/h3-4,7-10,16,19H,5-6,11-15,17H2,1-2H3
InChIKeyPVZAPOBLWNTDDN-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.79
Rot. Bonds5

About 1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone

1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 23822619) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID23822619
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC3(CCN(C4CC4)CC3)c3cc(OC)ccc32)cc1
InChIInChI=1S/C25H30N2O3/c1-29-20-7-3-18(4-8-20)15-24(28)27-17-25(11-13-26(14-12-25)19-5-6-19)22-16-21(30-2)9-10-23(22)27/h3-4,7-10,16,19H,5-6,11-15,17H2,1-2H3
InChIKeyPVZAPOBLWNTDDN-UHFFFAOYSA-N
XLogP3.79
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23959515
ethyl 4-[5-fluoro-1-(4-methoxybenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 11518875
1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one
CID 23963182
ethyl 4-[1-acetyl-5-(trifluoromethoxy)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433542
1'-cyclopropyl-5-fluoro-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23994922
[1'-(cyclopropylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methoxyphenyl)methanone
CID 11246409
ethyl 4-(1-acetyl-5-propylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 11661869
1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one
CID 23991716
[1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone
CID 23933633
[5-methoxy-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23997047
(1'-cyclopropyl-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl)-(3,5-dichlorophenyl)methanone
CID 23959121
(1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone
CID 23764734

Frequently Asked Questions

What is the IUPAC name of 1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone (CID 23822619) is 1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CC3(CCN(C4CC4)CC3)c3cc(OC)ccc32)cc1.
What is the InChIKey of 1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is PVZAPOBLWNTDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-29-20-7-3-18(4-8-20)15-24(28)27-17-25(11-13-26(14-12-25)19-5-6-19)22-16-21(30-2)9-10-23(22)27/h3-4,7-10,16,19H,5-6,11-15,17H2,1-2H3.
What are the key properties of 1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone?
1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 406.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 23822619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).