4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

C22H29FN4O2S — CID 123641027

IUPAC4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCCC(C)C1CN(C2CCN(C(=O)Nc3ncc(CO)s3)CC2)c2cc(F)ccc21
InChIInChI=1S/C22H29FN4O2S/c1-3-14(2)19-12-27(20-10-15(23)4-5-18(19)20)16-6-8-26(9-7-16)22(29)25-21-24-11-17(13-28)30-21/h4-5,10-11,14,16,19,28H,3,6-9,12-13H2,1-2H3,(H,24,25,29)
InChIKeyMHWRZZNHTHEBSP-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.42
Rot. Bonds5

About 4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 123641027) has the molecular formula C22H29FN4O2S and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID123641027
Molecular FormulaC22H29FN4O2S
Molecular Weight432.57 g/mol
Exact Mass432.20
IUPAC Name4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCCC(C)C1CN(C2CCN(C(=O)Nc3ncc(CO)s3)CC2)c2cc(F)ccc21
InChIInChI=1S/C22H29FN4O2S/c1-3-14(2)19-12-27(20-10-15(23)4-5-18(19)20)16-6-8-26(9-7-16)22(29)25-21-24-11-17(13-28)30-21/h4-5,10-11,14,16,19,28H,3,6-9,12-13H2,1-2H3,(H,24,25,29)
InChIKeyMHWRZZNHTHEBSP-UHFFFAOYSA-N
XLogP4.42
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 123641027) is 4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is CCC(C)C1CN(C2CCN(C(=O)Nc3ncc(CO)s3)CC2)c2cc(F)ccc21.
What is the InChIKey of 4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is MHWRZZNHTHEBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2S/c1-3-14(2)19-12-27(20-10-15(23)4-5-18(19)20)16-6-8-26(9-7-16)22(29)25-21-24-11-17(13-28)30-21/h4-5,10-11,14,16,19,28H,3,6-9,12-13H2,1-2H3,(H,24,25,29).
What are the key properties of 4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butan-2-yl-6-fluoro-2,3-dihydroindol-1-yl)-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 123641027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).