6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide

C16H20N4O2 — CID 2958086

IUPAC6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2)N=C(N2CCCCC2)N1
InChIInChI=1S/C16H20N4O2/c21-14-11-13(15(22)17-12-7-3-1-4-8-12)18-16(19-14)20-9-5-2-6-10-20/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,22)(H,18,19,21)
InChIKeyKCVWBDCDEHBURU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.36
Rot. Bonds2

About 6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide

6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 2958086) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID2958086
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2)N=C(N2CCCCC2)N1
InChIInChI=1S/C16H20N4O2/c21-14-11-13(15(22)17-12-7-3-1-4-8-12)18-16(19-14)20-9-5-2-6-10-20/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,22)(H,18,19,21)
InChIKeyKCVWBDCDEHBURU-UHFFFAOYSA-N
XLogP1.36
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 2958086) is 6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide is O=C1CC(C(=O)Nc2ccccc2)N=C(N2CCCCC2)N1.
What is the InChIKey of 6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is KCVWBDCDEHBURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-14-11-13(15(22)17-12-7-3-1-4-8-12)18-16(19-14)20-9-5-2-6-10-20/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,22)(H,18,19,21).
What are the key properties of 6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-phenyl-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 2958086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).