1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea

C17H25N3O2 — CID 110638001

IUPAC1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
SMILESCC(C)CC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(2)12-16(21)20-10-8-15(9-11-20)19-17(22)18-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,18,19,22)
InChIKeyNHGGGLNUEBRWLD-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.85
Rot. Bonds4

About 1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea

1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea (PubChem CID 110638001) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
PubChem CID110638001
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
SMILESCC(C)CC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(2)12-16(21)20-10-8-15(9-11-20)19-17(22)18-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,18,19,22)
InChIKeyNHGGGLNUEBRWLD-UHFFFAOYSA-N
XLogP2.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
1-[1-[4-(methylamino)butanoyl]piperidin-4-yl]-3-phenylurea;hydrochloride
CID 119750416
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
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-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 86834875
2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride
CID 120590622
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 49492924
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea?
The IUPAC name of 1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea (CID 110638001) is 1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea is CC(C)CC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea?
The InChIKey is NHGGGLNUEBRWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)12-16(21)20-10-8-15(9-11-20)19-17(22)18-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea?
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea has a molecular weight of 303.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea is sourced from PubChem (CID 110638001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).