1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea

C15H23N5O2 — CID 90651702

IUPAC1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea
SMILESCc1cccnc1N1CCN(C(=O)CNC(=O)N(C)C)CC1
InChIInChI=1S/C15H23N5O2/c1-12-5-4-6-16-14(12)20-9-7-19(8-10-20)13(21)11-17-15(22)18(2)3/h4-6H,7-11H2,1-3H3,(H,17,22)
InChIKeySALOGAKUCFKIJV-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.31
Rot. Bonds3

About 1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea

1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea (PubChem CID 90651702) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea
PubChem CID90651702
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea
SMILESCc1cccnc1N1CCN(C(=O)CNC(=O)N(C)C)CC1
InChIInChI=1S/C15H23N5O2/c1-12-5-4-6-16-14(12)20-9-7-19(8-10-20)13(21)11-17-15(22)18(2)3/h4-6H,7-11H2,1-3H3,(H,17,22)
InChIKeySALOGAKUCFKIJV-UHFFFAOYSA-N
XLogP0.31
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 97150239
N-[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 75393207
2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 62255323
N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 122571012
2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 112994682
1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70724830
2-(4-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4803568
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 70712734
2-(3,4-dimethylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004883
2-[(2-methylphenyl)methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108996536
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea (CID 90651702) is 1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea is Cc1cccnc1N1CCN(C(=O)CNC(=O)N(C)C)CC1.
What is the InChIKey of 1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea?
The InChIKey is SALOGAKUCFKIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-12-5-4-6-16-14(12)20-9-7-19(8-10-20)13(21)11-17-15(22)18(2)3/h4-6H,7-11H2,1-3H3,(H,17,22).
What are the key properties of 1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea?
1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea has a molecular weight of 305.38 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 90651702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).