[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

C25H28N2O3 — CID 24599113

IUPAC[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESC/C=C/c1cc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc(OC)c1OC
InChIInChI=1S/C25H28N2O3/c1-4-7-18-14-19(15-23(29-2)24(18)30-3)25(28)27-12-10-17(11-13-27)21-16-26-22-9-6-5-8-20(21)22/h4-9,14-17,26H,10-13H2,1-3H3/b7-4+
InChIKeyGPRXRJMPSVMDIK-QPJJXVBHSA-N
MW404.51 g/mol
LogP5.24
Rot. Bonds5

About [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 24599113) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID24599113
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESC/C=C/c1cc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc(OC)c1OC
InChIInChI=1S/C25H28N2O3/c1-4-7-18-14-19(15-23(29-2)24(18)30-3)25(28)27-12-10-17(11-13-27)21-16-26-22-9-6-5-8-20(21)22/h4-9,14-17,26H,10-13H2,1-3H3/b7-4+
InChIKeyGPRXRJMPSVMDIK-QPJJXVBHSA-N
XLogP5.24
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 55510978
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
ethyl 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperazine-1-carboxylate
CID 16573483
4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 24599133
[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 75532218

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (CID 24599113) is [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is C/C=C/c1cc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc(OC)c1OC.
What is the InChIKey of [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is GPRXRJMPSVMDIK-QPJJXVBHSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-4-7-18-14-19(15-23(29-2)24(18)30-3)25(28)27-12-10-17(11-13-27)21-16-26-22-9-6-5-8-20(21)22/h4-9,14-17,26H,10-13H2,1-3H3/b7-4+.
What are the key properties of [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24599113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).