[2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate

C22H22N2O3 — CID 154838455

IUPAC[2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate
SMILESCn1ccc2c(C(=O)Oc3ccccc3C(=O)N3CCCCC3)cccc21
InChIInChI=1S/C22H22N2O3/c1-23-15-12-16-17(9-7-10-19(16)23)22(26)27-20-11-4-3-8-18(20)21(25)24-13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3
InChIKeyIXUPFVFUIGZJAX-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.02
Rot. Bonds3

About [2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate

[2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate (PubChem CID 154838455) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate.

Molecular Properties

Compound Name[2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate
PubChem CID154838455
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate
SMILESCn1ccc2c(C(=O)Oc3ccccc3C(=O)N3CCCCC3)cccc21
InChIInChI=1S/C22H22N2O3/c1-23-15-12-16-17(9-7-10-19(16)23)22(26)27-20-11-4-3-8-18(20)21(25)24-13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3
InChIKeyIXUPFVFUIGZJAX-UHFFFAOYSA-N
XLogP4.02
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylindol-4-yl)methanone
CID 71879331
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate
CID 3364614
(1-methylindol-4-yl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 71880141
[2-(pyrrolidine-1-carbonyl)phenyl] 3-sulfanylpropanoate
CID 57178840
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
2-fluoroethyl 1-methylindole-4-carboxylate
CID 86768941
3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256600
(1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 136561531
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone
CID 113207907

Frequently Asked Questions

What is the IUPAC name of [2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate?
The IUPAC name of [2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate (CID 154838455) is [2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate.
What is the SMILES notation for [2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate?
The canonical SMILES for [2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate is Cn1ccc2c(C(=O)Oc3ccccc3C(=O)N3CCCCC3)cccc21.
What is the InChIKey of [2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate?
The InChIKey is IXUPFVFUIGZJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-23-15-12-16-17(9-7-10-19(16)23)22(26)27-20-11-4-3-8-18(20)21(25)24-13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3.
What are the key properties of [2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate?
[2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidine-1-carbonyl)phenyl] 1-methylindole-4-carboxylate is sourced from PubChem (CID 154838455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).