1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C20H25FN4O2 — CID 53005509

IUPAC1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C20H25FN4O2/c1-27-12-2-9-22-20(26)16-7-10-25(11-8-16)19-13-18(23-14-24-19)15-3-5-17(21)6-4-15/h3-6,13-14,16H,2,7-12H2,1H3,(H,22,26)
InChIKeyWBXRPSFNGBNGSC-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.65
Rot. Bonds7

About 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 53005509) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID53005509
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C20H25FN4O2/c1-27-12-2-9-22-20(26)16-7-10-25(11-8-16)19-13-18(23-14-24-19)15-3-5-17(21)6-4-15/h3-6,13-14,16H,2,7-12H2,1H3,(H,22,26)
InChIKeyWBXRPSFNGBNGSC-UHFFFAOYSA-N
XLogP2.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 53005509) is 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is WBXRPSFNGBNGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-27-12-2-9-22-20(26)16-7-10-25(11-8-16)19-13-18(23-14-24-19)15-3-5-17(21)6-4-15/h3-6,13-14,16H,2,7-12H2,1H3,(H,22,26).
What are the key properties of 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53005509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).