N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide

C16H18N4O — CID 9026002

IUPACN-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H18N4O/c21-15(19-14-5-2-1-3-6-14)13-7-11-20(12-8-13)16-17-9-4-10-18-16/h1-6,9-10,13H,7-8,11-12H2,(H,19,21)
InChIKeyHBOJHWQKMDBEGT-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.33
Rot. Bonds3

About N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 9026002) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID9026002
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H18N4O/c21-15(19-14-5-2-1-3-6-14)13-7-11-20(12-8-13)16-17-9-4-10-18-16/h1-6,9-10,13H,7-8,11-12H2,(H,19,21)
InChIKeyHBOJHWQKMDBEGT-UHFFFAOYSA-N
XLogP2.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 9026002) is N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is HBOJHWQKMDBEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-15(19-14-5-2-1-3-6-14)13-7-11-20(12-8-13)16-17-9-4-10-18-16/h1-6,9-10,13H,7-8,11-12H2,(H,19,21).
What are the key properties of N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 9026002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).