1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

C17H20N4O — CID 46907685

IUPAC1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2ccnc(N3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C17H20N4O/c1-12-2-4-13(5-3-12)15-6-9-19-17(20-15)21-10-7-14(8-11-21)16(18)22/h2-6,9,14H,7-8,10-11H2,1H3,(H2,18,22)
InChIKeyIYACHNPMFWEHIE-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.15
Rot. Bonds3

About 1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 46907685) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID46907685
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2ccnc(N3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C17H20N4O/c1-12-2-4-13(5-3-12)15-6-9-19-17(20-15)21-10-7-14(8-11-21)16(18)22/h2-6,9,14H,7-8,10-11H2,1H3,(H2,18,22)
InChIKeyIYACHNPMFWEHIE-UHFFFAOYSA-N
XLogP2.15
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 46907685) is 1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide is Cc1ccc(-c2ccnc(N3CCC(C(N)=O)CC3)n2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is IYACHNPMFWEHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-2-4-13(5-3-12)15-6-9-19-17(20-15)21-10-7-14(8-11-21)16(18)22/h2-6,9,14H,7-8,10-11H2,1H3,(H2,18,22).
What are the key properties of 1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide?
1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).