3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide

C24H24ClN3O3 — CID 75450677

IUPAC3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide
SMILESCOc1ccc(Cl)cc1/C=C/C(=O)N1CCC(c2c[nH]c3ccc(C(N)=O)cc23)CC1
InChIInChI=1S/C24H24ClN3O3/c1-31-22-6-4-18(25)12-16(22)3-7-23(29)28-10-8-15(9-11-28)20-14-27-21-5-2-17(24(26)30)13-19(20)21/h2-7,12-15,27H,8-11H2,1H3,(H2,26,30)/b7-3+
InChIKeyKJKKIDKGFDUTFG-XVNBXDOJSA-N
MW437.93 g/mol
LogP4.35
Rot. Bonds5

About 3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide

3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide (PubChem CID 75450677) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide
PubChem CID75450677
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide
SMILESCOc1ccc(Cl)cc1/C=C/C(=O)N1CCC(c2c[nH]c3ccc(C(N)=O)cc23)CC1
InChIInChI=1S/C24H24ClN3O3/c1-31-22-6-4-18(25)12-16(22)3-7-23(29)28-10-8-15(9-11-28)20-14-27-21-5-2-17(24(26)30)13-19(20)21/h2-7,12-15,27H,8-11H2,1H3,(H2,26,30)/b7-3+
InChIKeyKJKKIDKGFDUTFG-XVNBXDOJSA-N
XLogP4.35
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 60528635
3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide
CID 166214351
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
(E)-3-(5-chloro-2-methoxyphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 94589862
1-[1-[3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]azetidin-3-yl]triazole-4-carboxamide
CID 126766298
(5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 84579932
(E)-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 55551303
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 113087458
1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 56819172
tert-butyl 4-(5-chloro-1H-indol-3-yl)piperidine-1-carboxylate;5-chloro-3-piperidin-4-yl-1H-indole;hydrochloride
CID 161384154
3-[1-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)piperidin-4-yl]-1H-indole-5-carboxamide
CID 167986441

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide (CID 75450677) is 3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide is COc1ccc(Cl)cc1/C=C/C(=O)N1CCC(c2c[nH]c3ccc(C(N)=O)cc23)CC1.
What is the InChIKey of 3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide?
The InChIKey is KJKKIDKGFDUTFG-XVNBXDOJSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-31-22-6-4-18(25)12-16(22)3-7-23(29)28-10-8-15(9-11-28)20-14-27-21-5-2-17(24(26)30)13-19(20)21/h2-7,12-15,27H,8-11H2,1H3,(H2,26,30)/b7-3+.
What are the key properties of 3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide?
3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 75450677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).