(3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone

C23H27N3O2 — CID 95722969

IUPAC(3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCC[C@@H](Nc3ccc(OC)cc3)C2)[nH]c2ccccc12
InChIInChI=1S/C23H27N3O2/c1-3-19-20-8-4-5-9-21(20)25-22(19)23(27)26-14-6-7-17(15-26)24-16-10-12-18(28-2)13-11-16/h4-5,8-13,17,24-25H,3,6-7,14-15H2,1-2H3/t17-/m1/s1
InChIKeyHMPDYWDDTNQPFZ-QGZVFWFLSA-N
MW377.49 g/mol
LogP4.46
Rot. Bonds5

About (3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone

(3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone (PubChem CID 95722969) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
PubChem CID95722969
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCC[C@@H](Nc3ccc(OC)cc3)C2)[nH]c2ccccc12
InChIInChI=1S/C23H27N3O2/c1-3-19-20-8-4-5-9-21(20)25-22(19)23(27)26-14-6-7-17(15-26)24-16-10-12-18(28-2)13-11-16/h4-5,8-13,17,24-25H,3,6-7,14-15H2,1-2H3/t17-/m1/s1
InChIKeyHMPDYWDDTNQPFZ-QGZVFWFLSA-N
XLogP4.46
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-benzofuran-2-yl-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 42532487
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 95724781
1-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-2-phenylsulfanylethanone
CID 42101235
methyl 2-[[3-(4-methoxyanilino)piperidine-1-carbonyl]amino]benzoate
CID 45227955
N-[1-(3-ethyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 50971502
(3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 50979872
[3-(4-methoxyanilino)piperidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 45204907
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(3-ethyl-1H-indol-2-yl)methanone
CID 74245990
(4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 25279248
3-[3-(4-methoxyanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 45172660
(3-ethyl-1H-indol-2-yl)-[(2R)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124749836
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 42533745

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone (CID 95722969) is (3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone is CCc1c(C(=O)N2CCC[C@@H](Nc3ccc(OC)cc3)C2)[nH]c2ccccc12.
What is the InChIKey of (3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone?
The InChIKey is HMPDYWDDTNQPFZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-19-20-8-4-5-9-21(20)25-22(19)23(27)26-14-6-7-17(15-26)24-16-10-12-18(28-2)13-11-16/h4-5,8-13,17,24-25H,3,6-7,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone?
(3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone has a molecular weight of 377.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1H-indol-2-yl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 95722969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).