1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C23H30N6O2 — CID 133492295

IUPAC1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3cc(N4CCN(C)C(=O)C4)ncn3)CC2)cc1
InChIInChI=1S/C23H30N6O2/c1-17-3-5-18(6-4-17)14-24-23(31)19-7-9-28(10-8-19)20-13-21(26-16-25-20)29-12-11-27(2)22(30)15-29/h3-6,13,16,19H,7-12,14-15H2,1-2H3,(H,24,31)
InChIKeyWUGVAHNZNYQWKS-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.60
Rot. Bonds5

About 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133492295) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID133492295
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3cc(N4CCN(C)C(=O)C4)ncn3)CC2)cc1
InChIInChI=1S/C23H30N6O2/c1-17-3-5-18(6-4-17)14-24-23(31)19-7-9-28(10-8-19)20-13-21(26-16-25-20)29-12-11-27(2)22(30)15-29/h3-6,13,16,19H,7-12,14-15H2,1-2H3,(H,24,31)
InChIKeyWUGVAHNZNYQWKS-UHFFFAOYSA-N
XLogP1.60
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356426
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356405
N-[(4-methylphenyl)methyl]-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 50783357
N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 56764930
N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 133492568
N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 133356434
N-[(4-fluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600328
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062124
N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892464
N-[(4-methylsulfanylphenyl)methyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062037
N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892456
N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 133356293

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 133492295) is 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3cc(N4CCN(C)C(=O)C4)ncn3)CC2)cc1.
What is the InChIKey of 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WUGVAHNZNYQWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-17-3-5-18(6-4-17)14-24-23(31)19-7-9-28(10-8-19)20-13-21(26-16-25-20)29-12-11-27(2)22(30)15-29/h3-6,13,16,19H,7-12,14-15H2,1-2H3,(H,24,31).
What are the key properties of 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133492295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).