N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C19H24N4O — CID 1085093

IUPACN-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3)CC2)n1
InChIInChI=1S/C19H24N4O/c1-14-12-15(2)22-19(21-14)23-10-8-17(9-11-23)18(24)20-13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,20,24)
InChIKeyRCZNHSGISWOTDW-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.63
Rot. Bonds4

About N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 1085093) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID1085093
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3)CC2)n1
InChIInChI=1S/C19H24N4O/c1-14-12-15(2)22-19(21-14)23-10-8-17(9-11-23)18(24)20-13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,20,24)
InChIKeyRCZNHSGISWOTDW-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 1085093) is N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3)CC2)n1.
What is the InChIKey of N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is RCZNHSGISWOTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-12-15(2)22-19(21-14)23-10-8-17(9-11-23)18(24)20-13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,20,24).
What are the key properties of N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 1085093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).