[1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone

C25H37N3O — CID 151350310

IUPAC[1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone
SMILESCCCCN1CCC(c2cn(N)c3ccc(C(=O)C4CCCCCC4)cc23)CC1
InChIInChI=1S/C25H37N3O/c1-2-3-14-27-15-12-19(13-16-27)23-18-28(26)24-11-10-21(17-22(23)24)25(29)20-8-6-4-5-7-9-20/h10-11,17-20H,2-9,12-16,26H2,1H3
InChIKeyOMIUQKIZEOCIML-UHFFFAOYSA-N
MW395.59 g/mol
LogP5.49
Rot. Bonds6

About [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone

[1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone (PubChem CID 151350310) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone.

Molecular Properties

Compound Name[1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone
PubChem CID151350310
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name[1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone
SMILESCCCCN1CCC(c2cn(N)c3ccc(C(=O)C4CCCCCC4)cc23)CC1
InChIInChI=1S/C25H37N3O/c1-2-3-14-27-15-12-19(13-16-27)23-18-28(26)24-11-10-21(17-22(23)24)25(29)20-8-6-4-5-7-9-20/h10-11,17-20H,2-9,12-16,26H2,1H3
InChIKeyOMIUQKIZEOCIML-UHFFFAOYSA-N
XLogP5.49
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.49
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-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone?
The IUPAC name of [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone (CID 151350310) is [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone.
What is the SMILES notation for [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone?
The canonical SMILES for [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone is CCCCN1CCC(c2cn(N)c3ccc(C(=O)C4CCCCCC4)cc23)CC1.
What is the InChIKey of [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone?
The InChIKey is OMIUQKIZEOCIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O/c1-2-3-14-27-15-12-19(13-16-27)23-18-28(26)24-11-10-21(17-22(23)24)25(29)20-8-6-4-5-7-9-20/h10-11,17-20H,2-9,12-16,26H2,1H3.
What are the key properties of [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone?
[1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone has a molecular weight of 395.59 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(1-butylpiperidin-4-yl)indol-5-yl]-cycloheptylmethanone is sourced from PubChem (CID 151350310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).