N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

C19H24N4O — CID 3224233

IUPACN-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O/c1-14-11-15(2)22-19(21-14)23-10-6-9-17(13-23)18(24)20-12-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3,(H,20,24)
InChIKeyIKXSFTPEZJOPOH-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.63
Rot. Bonds4

About N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3224233) 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-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3224233
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O/c1-14-11-15(2)22-19(21-14)23-10-6-9-17(13-23)18(24)20-12-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3,(H,20,24)
InChIKeyIKXSFTPEZJOPOH-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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Related Compounds

Luf-5735
CID 11392960
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
Propanamide, N-(4,6-diphenyl-2-pyrimidinyl)-2-methyl-
CID 11381543

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3224233) is N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3)C2)n1.
What is the InChIKey of N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is IKXSFTPEZJOPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-11-15(2)22-19(21-14)23-10-6-9-17(13-23)18(24)20-12-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3,(H,20,24).
What are the key properties of N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-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-3-carboxamide is sourced from PubChem (CID 3224233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).