N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide

C17H20N4O — CID 65389180

IUPACN-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
SMILESCC1CCN(c2cc(NC(=O)c3ccccc3)ncn2)CC1
InChIInChI=1S/C17H20N4O/c1-13-7-9-21(10-8-13)16-11-15(18-12-19-16)20-17(22)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,18,19,20,22)
InChIKeyQUWAUKDDNKSIJN-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.97
Rot. Bonds3

About N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide

N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide (PubChem CID 65389180) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
PubChem CID65389180
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
SMILESCC1CCN(c2cc(NC(=O)c3ccccc3)ncn2)CC1
InChIInChI=1S/C17H20N4O/c1-13-7-9-21(10-8-13)16-11-15(18-12-19-16)20-17(22)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,18,19,20,22)
InChIKeyQUWAUKDDNKSIJN-UHFFFAOYSA-N
XLogP2.97
TPSA58.12 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
The IUPAC name of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide (CID 65389180) is N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide is CC1CCN(c2cc(NC(=O)c3ccccc3)ncn2)CC1.
What is the InChIKey of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
The InChIKey is QUWAUKDDNKSIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-7-9-21(10-8-13)16-11-15(18-12-19-16)20-17(22)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,18,19,20,22).
What are the key properties of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 65389180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).