[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone

C21H22ClN3O — CID 67637123

IUPAC[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone
SMILESCN1CCC(c2cn(N)c3ccc(C(=O)c4cccc(Cl)c4)cc23)CC1
InChIInChI=1S/C21H22ClN3O/c1-24-9-7-14(8-10-24)19-13-25(23)20-6-5-16(12-18(19)20)21(26)15-3-2-4-17(22)11-15/h2-6,11-14H,7-10,23H2,1H3
InChIKeyUJUBSVOAVXTRBD-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.05
Rot. Bonds3

About [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone

[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone (PubChem CID 67637123) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone
PubChem CID67637123
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone
SMILESCN1CCC(c2cn(N)c3ccc(C(=O)c4cccc(Cl)c4)cc23)CC1
InChIInChI=1S/C21H22ClN3O/c1-24-9-7-14(8-10-24)19-13-25(23)20-6-5-16(12-18(19)20)21(26)15-3-2-4-17(22)11-15/h2-6,11-14H,7-10,23H2,1H3
InChIKeyUJUBSVOAVXTRBD-UHFFFAOYSA-N
XLogP4.05
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 154264295
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(4-chlorophenyl)methanone;(E)-but-2-enedioic acid
CID 67638184
4-[1-amino-3-(1-methylpiperidin-4-yl)indole-5-carbonyl]benzonitrile
CID 67639449
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone
CID 67630514
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(4-methoxyphenyl)methanone;(E)-but-2-enedioic acid
CID 67638305
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(2-methylfuran-3-yl)methanone
CID 67639351
3-(1-methylpiperidin-4-yl)-5-methylsulfonylindol-1-amine
CID 174415365
[1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone
CID 151518551
(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 43161643
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
CID 24726718

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone (CID 67637123) is [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone is CN1CCC(c2cn(N)c3ccc(C(=O)c4cccc(Cl)c4)cc23)CC1.
What is the InChIKey of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone?
The InChIKey is UJUBSVOAVXTRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-24-9-7-14(8-10-24)19-13-25(23)20-6-5-16(12-18(19)20)21(26)15-3-2-4-17(22)11-15/h2-6,11-14H,7-10,23H2,1H3.
What are the key properties of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone?
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone has a molecular weight of 367.88 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 67637123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).