1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea

C19H27N3O3 — CID 127829626

IUPAC1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea
SMILESCC1OCCC1(C)NC(=O)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H27N3O3/c1-14-19(2,10-13-25-14)21-18(24)20-16-8-11-22(12-9-16)17(23)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,20,21,24)
InChIKeyCDBWEDYKNLBLRW-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.16
Rot. Bonds3

About 1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea

1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea (PubChem CID 127829626) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea
PubChem CID127829626
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea
SMILESCC1OCCC1(C)NC(=O)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H27N3O3/c1-14-19(2,10-13-25-14)21-18(24)20-16-8-11-22(12-9-16)17(23)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,20,21,24)
InChIKeyCDBWEDYKNLBLRW-UHFFFAOYSA-N
XLogP2.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
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N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
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4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
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N-[1-(4-iodobenzoyl)piperidin-4-yl]acetamide
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N-(2,3-dimethyloxolan-3-yl)pyridazine-4-carboxamide
CID 136530121
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
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CID 46508173

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea?
The IUPAC name of 1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea (CID 127829626) is 1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea.
What is the SMILES notation for 1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea?
The canonical SMILES for 1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea is CC1OCCC1(C)NC(=O)NC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea?
The InChIKey is CDBWEDYKNLBLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-19(2,10-13-25-14)21-18(24)20-16-8-11-22(12-9-16)17(23)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea?
1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea has a molecular weight of 345.44 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoylpiperidin-4-yl)-3-(2,3-dimethyloxolan-3-yl)urea is sourced from PubChem (CID 127829626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).