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

C19H29N3O2 — CID 110820100

IUPAC1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
SMILESCCC(CC)C(=O)N1CCC(NC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-16(4-2)18(23)22-12-10-17(11-13-22)21-19(24)20-14-15-8-6-5-7-9-15/h5-9,16-17H,3-4,10-14H2,1-2H3,(H2,20,21,24)
InChIKeyFPSVMBNABZRXOL-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.91
Rot. Bonds6

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

1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea (PubChem CID 110820100) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
PubChem CID110820100
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
SMILESCCC(CC)C(=O)N1CCC(NC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-16(4-2)18(23)22-12-10-17(11-13-22)21-19(24)20-14-15-8-6-5-7-9-15/h5-9,16-17H,3-4,10-14H2,1-2H3,(H2,20,21,24)
InChIKeyFPSVMBNABZRXOL-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 132968728
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
1-(2,2-dimethylpropyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820103
1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874685
1-[(4-bromophenyl)methyl]-3-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 111978031
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55962161
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-piperidin-1-ylphenyl)urea
CID 55816831
6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180912

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea (CID 110820100) is 1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea is CCC(CC)C(=O)N1CCC(NC(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
The InChIKey is FPSVMBNABZRXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-16(4-2)18(23)22-12-10-17(11-13-22)21-19(24)20-14-15-8-6-5-7-9-15/h5-9,16-17H,3-4,10-14H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea has a molecular weight of 331.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 110820100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).