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

C18H23N3O — CID 67630514

IUPAC[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone
SMILESCN1CCC(c2cn(N)c3ccc(C(=O)C4CC4)cc23)CC1
InChIInChI=1S/C18H23N3O/c1-20-8-6-12(7-9-20)16-11-21(19)17-5-4-14(10-15(16)17)18(22)13-2-3-13/h4-5,10-13H,2-3,6-9,19H2,1H3
InChIKeyOAOIHIHXFKDCGI-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.76
Rot. Bonds3

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

[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone (PubChem CID 67630514) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone
PubChem CID67630514
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone
SMILESCN1CCC(c2cn(N)c3ccc(C(=O)C4CC4)cc23)CC1
InChIInChI=1S/C18H23N3O/c1-20-8-6-12(7-9-20)16-11-21(19)17-5-4-14(10-15(16)17)18(22)13-2-3-13/h4-5,10-13H,2-3,6-9,19H2,1H3
InChIKeyOAOIHIHXFKDCGI-UHFFFAOYSA-N
XLogP2.76
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone?
The IUPAC name of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone (CID 67630514) is [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone.
What is the SMILES notation for [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone?
The canonical SMILES for [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone is CN1CCC(c2cn(N)c3ccc(C(=O)C4CC4)cc23)CC1.
What is the InChIKey of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone?
The InChIKey is OAOIHIHXFKDCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20-8-6-12(7-9-20)16-11-21(19)17-5-4-14(10-15(16)17)18(22)13-2-3-13/h4-5,10-13H,2-3,6-9,19H2,1H3.
What are the key properties of [1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone?
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-cyclopropylmethanone has a molecular weight of 297.40 g/mol, XLogP of 2.76, 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]-cyclopropylmethanone is sourced from PubChem (CID 67630514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).