(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide

C16H17FN4O — CID 125157690

IUPAC(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC[C@H](c2ccncn2)C1
InChIInChI=1S/C16H17FN4O/c17-13-3-5-14(6-4-13)20-16(22)21-9-1-2-12(10-21)15-7-8-18-11-19-15/h3-8,11-12H,1-2,9-10H2,(H,20,22)/t12-/m0/s1
InChIKeyJNGUPAAUMOGETL-LBPRGKRZSA-N
MW300.34 g/mol
LogP3.03
Rot. Bonds2

About (3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide

(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide (PubChem CID 125157690) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is (3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
PubChem CID125157690
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC[C@H](c2ccncn2)C1
InChIInChI=1S/C16H17FN4O/c17-13-3-5-14(6-4-13)20-16(22)21-9-1-2-12(10-21)15-7-8-18-11-19-15/h3-8,11-12H,1-2,9-10H2,(H,20,22)/t12-/m0/s1
InChIKeyJNGUPAAUMOGETL-LBPRGKRZSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 97438463
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 72872019
(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125177080
N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
CID 166262556
[2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126431930
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126445256
(3S)-N-[4-(azepan-1-yl)butyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126437475
(3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125168484
(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 52511029

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide (CID 125157690) is (3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC[C@H](c2ccncn2)C1.
What is the InChIKey of (3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The InChIKey is JNGUPAAUMOGETL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-13-3-5-14(6-4-13)20-16(22)21-9-1-2-12(10-21)15-7-8-18-11-19-15/h3-8,11-12H,1-2,9-10H2,(H,20,22)/t12-/m0/s1.
What are the key properties of (3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide?
(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 125157690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).