(3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide

C14H18FN3O2 — CID 97221670

IUPAC(3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c1-9-5-6-10(13(16)19)8-18(9)14(20)17-12-4-2-3-11(15)7-12/h2-4,7,9-10H,5-6,8H2,1H3,(H2,16,19)(H,17,20)/t9-,10-/m0/s1
InChIKeyCTGBQYYVWLXDNC-UWVGGRQHSA-N
MW279.31 g/mol
LogP1.94
Rot. Bonds2

About (3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide

(3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide (PubChem CID 97221670) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is (3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide
PubChem CID97221670
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name(3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c1-9-5-6-10(13(16)19)8-18(9)14(20)17-12-4-2-3-11(15)7-12/h2-4,7,9-10H,5-6,8H2,1H3,(H2,16,19)(H,17,20)/t9-,10-/m0/s1
InChIKeyCTGBQYYVWLXDNC-UWVGGRQHSA-N
XLogP1.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 115312295
(3R,6R)-1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 95146129
1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79363795
6-methyl-1-N-(2-pyridin-4-ylphenyl)piperidine-1,3-dicarboxamide
CID 75444865
N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 127769677
(2S,3R)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503644
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
(2S,3S)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503646
1-(2-anilinoacetyl)-6-methylpiperidine-3-carboxamide
CID 60963532
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide (CID 97221670) is (3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide is C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of (3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide?
The InChIKey is CTGBQYYVWLXDNC-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9-5-6-10(13(16)19)8-18(9)14(20)17-12-4-2-3-11(15)7-12/h2-4,7,9-10H,5-6,8H2,1H3,(H2,16,19)(H,17,20)/t9-,10-/m0/s1.
What are the key properties of (3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide?
(3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 97221670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).