(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide

C16H18FN3O2 — CID 97260094

IUPAC(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCCN(C(=O)c2c[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C16H18FN3O2/c1-18-15(21)10-3-2-6-20(9-10)16(22)13-8-19-14-7-11(17)4-5-12(13)14/h4-5,7-8,10,19H,2-3,6,9H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyYEYFUTBFZQFFOJ-JTQLQIEISA-N
MW303.34 g/mol
LogP1.91
Rot. Bonds2

About (3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide

(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide (PubChem CID 97260094) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is (3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide
PubChem CID97260094
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCCN(C(=O)c2c[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C16H18FN3O2/c1-18-15(21)10-3-2-6-20(9-10)16(22)13-8-19-14-7-11(17)4-5-12(13)14/h4-5,7-8,10,19H,2-3,6,9H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyYEYFUTBFZQFFOJ-JTQLQIEISA-N
XLogP1.91
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 119174191
1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 113208548
5-[(3R)-1-(6-fluoro-1H-indole-3-carbonyl)piperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 121360302
5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 71919840
2-cyclopentyl-N-[1-(6-fluoro-1H-indole-3-carbonyl)piperidin-4-yl]acetamide
CID 126779852
1-(2-amino-5-bromobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103197103
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
(6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 172654886

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide (CID 97260094) is (3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide is CNC(=O)[C@H]1CCCN(C(=O)c2c[nH]c3cc(F)ccc23)C1.
What is the InChIKey of (3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is YEYFUTBFZQFFOJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-18-15(21)10-3-2-6-20(9-10)16(22)13-8-19-14-7-11(17)4-5-12(13)14/h4-5,7-8,10,19H,2-3,6,9H2,1H3,(H,18,21)/t10-/m0/s1.
What are the key properties of (3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide?
(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 97260094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).