1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea

C21H26N4O2 — CID 71856012

IUPAC1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea
SMILESO=C(Nc1cccn(Cc2ccccc2)c1=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C21H26N4O2/c26-20-19(7-4-12-25(20)15-16-5-2-1-3-6-16)23-21(27)22-17-10-13-24(14-11-17)18-8-9-18/h1-7,12,17-18H,8-11,13-15H2,(H2,22,23,27)
InChIKeyPAIANNCBCXJCOS-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.64
Rot. Bonds5

About 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea

1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea (PubChem CID 71856012) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea
PubChem CID71856012
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea
SMILESO=C(Nc1cccn(Cc2ccccc2)c1=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C21H26N4O2/c26-20-19(7-4-12-25(20)15-16-5-2-1-3-6-16)23-21(27)22-17-10-13-24(14-11-17)18-8-9-18/h1-7,12,17-18H,8-11,13-15H2,(H2,22,23,27)
InChIKeyPAIANNCBCXJCOS-UHFFFAOYSA-N
XLogP2.64
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclopropylurea
CID 167960559
1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086570
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 97053772
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-chlorophenyl)urea
CID 43813857
1-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methylphenyl)urea
CID 98109906
9-amino-N-(1-benzyl-2-oxo-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992316
1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 86988645
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 51102219

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea?
The IUPAC name of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea (CID 71856012) is 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea?
The canonical SMILES for 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea is O=C(Nc1cccn(Cc2ccccc2)c1=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea?
The InChIKey is PAIANNCBCXJCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-20-19(7-4-12-25(20)15-16-5-2-1-3-6-16)23-21(27)22-17-10-13-24(14-11-17)18-8-9-18/h1-7,12,17-18H,8-11,13-15H2,(H2,22,23,27).
What are the key properties of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea?
1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea has a molecular weight of 366.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(1-cyclopropylpiperidin-4-yl)urea is sourced from PubChem (CID 71856012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).