1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea

C17H33N3O2 — CID 110820103

IUPAC1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
SMILESCCC(CC)C(=O)N1CCC(NC(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C17H33N3O2/c1-6-13(7-2)15(21)20-10-8-14(9-11-20)19-16(22)18-12-17(3,4)5/h13-14H,6-12H2,1-5H3,(H2,18,19,22)
InChIKeyQAALEXLGHOFPFO-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.76
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea

1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea (PubChem CID 110820103) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
PubChem CID110820103
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
SMILESCCC(CC)C(=O)N1CCC(NC(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C17H33N3O2/c1-6-13(7-2)15(21)20-10-8-14(9-11-20)19-16(22)18-12-17(3,4)5/h13-14H,6-12H2,1-5H3,(H2,18,19,22)
InChIKeyQAALEXLGHOFPFO-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.76
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
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
2-amino-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylpentanamide;hydrochloride
CID 119723573
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
1-(2,2-dimethylpropyl)-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 110823075
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 132968728
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide
CID 65227339
2-chloroethyl N-[1-(2-ethylbutanoyl)piperidin-4-yl]carbamate
CID 108566162
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea (CID 110820103) is 1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea is CCC(CC)C(=O)N1CCC(NC(=O)NCC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
The InChIKey is QAALEXLGHOFPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-6-13(7-2)15(21)20-10-8-14(9-11-20)19-16(22)18-12-17(3,4)5/h13-14H,6-12H2,1-5H3,(H2,18,19,22).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea has a molecular weight of 311.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 110820103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).