1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea

C16H25N5O3 — CID 136540973

IUPAC1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
SMILESCOc1nccc(NC(=O)NC2CCN(C(=O)CC(C)C)CC2)n1
InChIInChI=1S/C16H25N5O3/c1-11(2)10-14(22)21-8-5-12(6-9-21)18-15(23)19-13-4-7-17-16(20-13)24-3/h4,7,11-12H,5-6,8-10H2,1-3H3,(H2,17,18,19,20,23)
InChIKeyMJLDJNJMDLWXIM-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.64
Rot. Bonds5

About 1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea

1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea (PubChem CID 136540973) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
PubChem CID136540973
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
SMILESCOc1nccc(NC(=O)NC2CCN(C(=O)CC(C)C)CC2)n1
InChIInChI=1S/C16H25N5O3/c1-11(2)10-14(22)21-8-5-12(6-9-21)18-15(23)19-13-4-7-17-16(20-13)24-3/h4,7,11-12H,5-6,8-10H2,1-3H3,(H2,17,18,19,20,23)
InChIKeyMJLDJNJMDLWXIM-UHFFFAOYSA-N
XLogP1.64
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
CID 125139276
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
CID 125139278
1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47090143
1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 127228015
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 121161350
1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 139000739
N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
CID 122156176
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea (CID 136540973) is 1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea is COc1nccc(NC(=O)NC2CCN(C(=O)CC(C)C)CC2)n1.
What is the InChIKey of 1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The InChIKey is MJLDJNJMDLWXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-11(2)10-14(22)21-8-5-12(6-9-21)18-15(23)19-13-4-7-17-16(20-13)24-3/h4,7,11-12H,5-6,8-10H2,1-3H3,(H2,17,18,19,20,23).
What are the key properties of 1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea has a molecular weight of 335.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 136540973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).