1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea

C20H29FN4O — CID 86880894

IUPAC1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
SMILESCC1CCCN(CC(C)NC(=O)NCCc2c[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C20H29FN4O/c1-14-4-3-9-25(12-14)13-15(2)24-20(26)22-8-7-16-11-23-19-10-17(21)5-6-18(16)19/h5-6,10-11,14-15,23H,3-4,7-9,12-13H2,1-2H3,(H2,22,24,26)
InChIKeyBDJDERJLZVRJGO-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.27
Rot. Bonds6

About 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea

1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea (PubChem CID 86880894) has the molecular formula C20H29FN4O and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
PubChem CID86880894
Molecular FormulaC20H29FN4O
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC Name1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
SMILESCC1CCCN(CC(C)NC(=O)NCCc2c[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C20H29FN4O/c1-14-4-3-9-25(12-14)13-15(2)24-20(26)22-8-7-16-11-23-19-10-17(21)5-6-18(16)19/h5-6,10-11,14-15,23H,3-4,7-9,12-13H2,1-2H3,(H2,22,24,26)
InChIKeyBDJDERJLZVRJGO-UHFFFAOYSA-N
XLogP3.27
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea with MolForge

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 60577137
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
(1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992203
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 56791805
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
CID 119706151
1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 111505217
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide
CID 172894946
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 86900823
(2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine
CID 171764220

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
The IUPAC name of 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea (CID 86880894) is 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea is CC1CCCN(CC(C)NC(=O)NCCc2c[nH]c3cc(F)ccc23)C1.
What is the InChIKey of 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
The InChIKey is BDJDERJLZVRJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O/c1-14-4-3-9-25(12-14)13-15(2)24-20(26)22-8-7-16-11-23-19-10-17(21)5-6-18(16)19/h5-6,10-11,14-15,23H,3-4,7-9,12-13H2,1-2H3,(H2,22,24,26).
What are the key properties of 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea has a molecular weight of 360.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea is sourced from PubChem (CID 86880894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).