1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide

C19H23N5O2 — CID 110086182

IUPAC1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cncnc2C)CCN1Cc1ccccc1
InChIInChI=1S/C19H23N5O2/c1-14-16(10-21-13-22-14)19(26)24-9-8-23(17(12-24)18(25)20-2)11-15-6-4-3-5-7-15/h3-7,10,13,17H,8-9,11-12H2,1-2H3,(H,20,25)
InChIKeyJZHTUXXEGLTSAV-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.86
Rot. Bonds4

About 1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide

1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide (PubChem CID 110086182) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
PubChem CID110086182
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cncnc2C)CCN1Cc1ccccc1
InChIInChI=1S/C19H23N5O2/c1-14-16(10-21-13-22-14)19(26)24-9-8-23(17(12-24)18(25)20-2)11-15-6-4-3-5-7-15/h3-7,10,13,17H,8-9,11-12H2,1-2H3,(H,20,25)
InChIKeyJZHTUXXEGLTSAV-UHFFFAOYSA-N
XLogP0.86
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125025072
[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 133112076
(2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125018642
(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
CID 95827904
(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124944737
(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 124984883
(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
CID 95811288
(2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide
CID 129458144
[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 170939364
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124588870
(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 124981335
(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 125001348

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide (CID 110086182) is 1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide is CNC(=O)C1CN(C(=O)c2cncnc2C)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide?
The InChIKey is JZHTUXXEGLTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-16(10-21-13-22-14)19(26)24-9-8-23(17(12-24)18(25)20-2)11-15-6-4-3-5-7-15/h3-7,10,13,17H,8-9,11-12H2,1-2H3,(H,20,25).
What are the key properties of 1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide?
1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 110086182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).