1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea

C20H30FN3O2 — CID 132968728

IUPAC1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
SMILESCCC(CC)C(=O)N1CCC(NC(=O)NCc2ccc(F)c(C)c2)CC1
InChIInChI=1S/C20H30FN3O2/c1-4-16(5-2)19(25)24-10-8-17(9-11-24)23-20(26)22-13-15-6-7-18(21)14(3)12-15/h6-7,12,16-17H,4-5,8-11,13H2,1-3H3,(H2,22,23,26)
InChIKeyGIVJAJKQCIKLPE-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.36
Rot. Bonds6

About 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea

1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea (PubChem CID 132968728) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
PubChem CID132968728
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
SMILESCCC(CC)C(=O)N1CCC(NC(=O)NCc2ccc(F)c(C)c2)CC1
InChIInChI=1S/C20H30FN3O2/c1-4-16(5-2)19(25)24-10-8-17(9-11-24)23-20(26)22-13-15-6-7-18(21)14(3)12-15/h6-7,12,16-17H,4-5,8-11,13H2,1-3H3,(H2,22,23,26)
InChIKeyGIVJAJKQCIKLPE-UHFFFAOYSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820100
1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820103
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 87002970
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
1-[(4-bromophenyl)methyl]-3-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 111978031
4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 119289463
1-amino-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 115192598
1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51128647
1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 55819670
2-[(4-fluoro-3-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683720
1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-[(4-hydroxyphenyl)methyl]guanidine
CID 111984317
2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide
CID 55949493

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea?
The IUPAC name of 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea (CID 132968728) is 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea?
The canonical SMILES for 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea is CCC(CC)C(=O)N1CCC(NC(=O)NCc2ccc(F)c(C)c2)CC1.
What is the InChIKey of 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea?
The InChIKey is GIVJAJKQCIKLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-4-16(5-2)19(25)24-10-8-17(9-11-24)23-20(26)22-13-15-6-7-18(21)14(3)12-15/h6-7,12,16-17H,4-5,8-11,13H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea?
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea has a molecular weight of 363.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea is sourced from PubChem (CID 132968728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).