1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea

C21H23FN4O — CID 174406878

IUPAC1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
SMILESCN1CCC(c2c[nH]c3ccc(N(F)C(=O)Nc4ccccc4)cc23)CC1
InChIInChI=1S/C21H23FN4O/c1-25-11-9-15(10-12-25)19-14-23-20-8-7-17(13-18(19)20)26(22)21(27)24-16-5-3-2-4-6-16/h2-8,13-15,23H,9-12H2,1H3,(H,24,27)
InChIKeyHOCTUJJTLISJPF-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.90
Rot. Bonds3

About 1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea

1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea (PubChem CID 174406878) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea.

Molecular Properties

Compound Name1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
PubChem CID174406878
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
SMILESCN1CCC(c2c[nH]c3ccc(N(F)C(=O)Nc4ccccc4)cc23)CC1
InChIInChI=1S/C21H23FN4O/c1-25-11-9-15(10-12-25)19-14-23-20-8-7-17(13-18(19)20)26(22)21(27)24-16-5-3-2-4-6-16/h2-8,13-15,23H,9-12H2,1H3,(H,24,27)
InChIKeyHOCTUJJTLISJPF-UHFFFAOYSA-N
XLogP4.90
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174394537
1-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-indol-5-yl]-1,3-diphenylurea
CID 67669036
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611451
N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide
CID 57299870
3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611201
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 22611431
1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
CID 19971007
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea?
The IUPAC name of 1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea (CID 174406878) is 1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea.
What is the SMILES notation for 1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea?
The canonical SMILES for 1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea is CN1CCC(c2c[nH]c3ccc(N(F)C(=O)Nc4ccccc4)cc23)CC1.
What is the InChIKey of 1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea?
The InChIKey is HOCTUJJTLISJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-25-11-9-15(10-12-25)19-14-23-20-8-7-17(13-18(19)20)26(22)21(27)24-16-5-3-2-4-6-16/h2-8,13-15,23H,9-12H2,1H3,(H,24,27).
What are the key properties of 1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea?
1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea has a molecular weight of 366.44 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea is sourced from PubChem (CID 174406878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).