[1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone

C23H29N3OS — CID 151518551

IUPAC[1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone
SMILESCC(C)(C)CN1CCC(c2cn(N)c3ccc(C(=O)c4cccs4)cc23)CC1
InChIInChI=1S/C23H29N3OS/c1-23(2,3)15-25-10-8-16(9-11-25)19-14-26(24)20-7-6-17(13-18(19)20)22(27)21-5-4-12-28-21/h4-7,12-14,16H,8-11,15,24H2,1-3H3
InChIKeyPTZDYAMVESAJIK-UHFFFAOYSA-N
MW395.57 g/mol
LogP4.87
Rot. Bonds4

About [1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone

[1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone (PubChem CID 151518551) has the molecular formula C23H29N3OS and a molecular weight of 395.57 g/mol. Its IUPAC name is [1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone
PubChem CID151518551
Molecular FormulaC23H29N3OS
Molecular Weight395.57 g/mol
Exact Mass395.20
IUPAC Name[1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone
SMILESCC(C)(C)CN1CCC(c2cn(N)c3ccc(C(=O)c4cccs4)cc23)CC1
InChIInChI=1S/C23H29N3OS/c1-23(2,3)15-25-10-8-16(9-11-25)19-14-26(24)20-7-6-17(13-18(19)20)22(27)21-5-4-12-28-21/h4-7,12-14,16H,8-11,15,24H2,1-3H3
InChIKeyPTZDYAMVESAJIK-UHFFFAOYSA-N
XLogP4.87
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone (CID 151518551) is [1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone is CC(C)(C)CN1CCC(c2cn(N)c3ccc(C(=O)c4cccs4)cc23)CC1.
What is the InChIKey of [1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone?
The InChIKey is PTZDYAMVESAJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3OS/c1-23(2,3)15-25-10-8-16(9-11-25)19-14-26(24)20-7-6-17(13-18(19)20)22(27)21-5-4-12-28-21/h4-7,12-14,16H,8-11,15,24H2,1-3H3.
What are the key properties of [1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone?
[1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone has a molecular weight of 395.57 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]indol-5-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 151518551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).