N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide

C17H22FN3O — CID 172894946

IUPACN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCCc2c[nH]c3cc(F)ccc23)CCCNC1
InChIInChI=1S/C17H22FN3O/c1-17(6-2-7-19-11-17)16(22)20-8-5-12-10-21-15-9-13(18)3-4-14(12)15/h3-4,9-10,19,21H,2,5-8,11H2,1H3,(H,20,22)
InChIKeySPNNKQBUXVDCGF-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.36
Rot. Bonds4

About N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide (PubChem CID 172894946) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide
PubChem CID172894946
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCCc2c[nH]c3cc(F)ccc23)CCCNC1
InChIInChI=1S/C17H22FN3O/c1-17(6-2-7-19-11-17)16(22)20-8-5-12-10-21-15-9-13(18)3-4-14(12)15/h3-4,9-10,19,21H,2,5-8,11H2,1H3,(H,20,22)
InChIKeySPNNKQBUXVDCGF-UHFFFAOYSA-N
XLogP2.36
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111464495
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55236472
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 71885829
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
CID 119706151
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209364

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide (CID 172894946) is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide is CC1(C(=O)NCCc2c[nH]c3cc(F)ccc23)CCCNC1.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is SPNNKQBUXVDCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-17(6-2-7-19-11-17)16(22)20-8-5-12-10-21-15-9-13(18)3-4-14(12)15/h3-4,9-10,19,21H,2,5-8,11H2,1H3,(H,20,22).
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide?
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 172894946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).