(3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C20H25FN4O — CID 52507745

IUPAC(3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccccc1F
InChIInChI=1S/C20H25FN4O/c1-20(2,16-8-3-4-9-17(16)21)14-24-18(26)15-7-5-12-25(13-15)19-22-10-6-11-23-19/h3-4,6,8-11,15H,5,7,12-14H2,1-2H3,(H,24,26)/t15-/m0/s1
InChIKeyQXPCKQXOQBSWHN-HNNXBMFYSA-N
MW356.44 g/mol
LogP2.93
Rot. Bonds5

About (3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 52507745) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is (3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID52507745
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name(3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccccc1F
InChIInChI=1S/C20H25FN4O/c1-20(2,16-8-3-4-9-17(16)21)14-24-18(26)15-7-5-12-25(13-15)19-22-10-6-11-23-19/h3-4,6,8-11,15H,5,7,12-14H2,1-2H3,(H,24,26)/t15-/m0/s1
InChIKeyQXPCKQXOQBSWHN-HNNXBMFYSA-N
XLogP2.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 94818335
N-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylpyrrolidine-3-carboxamide
CID 110246573
(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 40599471
1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 110246572
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
(3S)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557652
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71703277
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
(3R)-N-[(2S)-2,3-dihydroxypropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 41118231
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 52507745) is (3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is CC(C)(CNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccccc1F.
What is the InChIKey of (3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is QXPCKQXOQBSWHN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-20(2,16-8-3-4-9-17(16)21)14-24-18(26)15-7-5-12-25(13-15)19-22-10-6-11-23-19/h3-4,6,8-11,15H,5,7,12-14H2,1-2H3,(H,24,26)/t15-/m0/s1.
What are the key properties of (3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 52507745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).