(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone

C21H23N3O2 — CID 142244437

IUPAC(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone
SMILESCOc1ccc(-n2c(C(=O)N3CCC(N)CC3)cc3ccccc32)cc1
InChIInChI=1S/C21H23N3O2/c1-26-18-8-6-17(7-9-18)24-19-5-3-2-4-15(19)14-20(24)21(25)23-12-10-16(22)11-13-23/h2-9,14,16H,10-13,22H2,1H3
InChIKeyYLCRAXNTQFAOTM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.20
Rot. Bonds3

About (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone

(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone (PubChem CID 142244437) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone
PubChem CID142244437
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone
SMILESCOc1ccc(-n2c(C(=O)N3CCC(N)CC3)cc3ccccc32)cc1
InChIInChI=1S/C21H23N3O2/c1-26-18-8-6-17(7-9-18)24-19-5-3-2-4-15(19)14-20(24)21(25)23-12-10-16(22)11-13-23/h2-9,14,16H,10-13,22H2,1H3
InChIKeyYLCRAXNTQFAOTM-UHFFFAOYSA-N
XLogP3.20
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone (CID 142244437) is (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone is COc1ccc(-n2c(C(=O)N3CCC(N)CC3)cc3ccccc32)cc1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone?
The InChIKey is YLCRAXNTQFAOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-18-8-6-17(7-9-18)24-19-5-3-2-4-15(19)14-20(24)21(25)23-12-10-16(22)11-13-23/h2-9,14,16H,10-13,22H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone?
(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone is sourced from PubChem (CID 142244437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).