1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea

C17H24N4O2 — CID 110666930

IUPAC1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea
SMILESCN1CCCN(c2ccc(NC(=O)NC3CCCC3)cc2)C1=O
InChIInChI=1S/C17H24N4O2/c1-20-11-4-12-21(17(20)23)15-9-7-14(8-10-15)19-16(22)18-13-5-2-3-6-13/h7-10,13H,2-6,11-12H2,1H3,(H2,18,19,22)
InChIKeyKUDRDPZXLOCCRO-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.01
Rot. Bonds3

About 1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea

1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea (PubChem CID 110666930) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea
PubChem CID110666930
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea
SMILESCN1CCCN(c2ccc(NC(=O)NC3CCCC3)cc2)C1=O
InChIInChI=1S/C17H24N4O2/c1-20-11-4-12-21(17(20)23)15-9-7-14(8-10-15)19-16(22)18-13-5-2-3-6-13/h7-10,13H,2-6,11-12H2,1H3,(H2,18,19,22)
InChIKeyKUDRDPZXLOCCRO-UHFFFAOYSA-N
XLogP3.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]adamantane-1-carboxamide
CID 110666871
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
CID 110369688
1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 110748659
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 128930624
1-cyclohexyl-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 110748319
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 110666893
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
3-methoxy-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666844

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea (CID 110666930) is 1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea is CN1CCCN(c2ccc(NC(=O)NC3CCCC3)cc2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea?
The InChIKey is KUDRDPZXLOCCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-20-11-4-12-21(17(20)23)15-9-7-14(8-10-15)19-16(22)18-13-5-2-3-6-13/h7-10,13H,2-6,11-12H2,1H3,(H2,18,19,22).
What are the key properties of 1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea?
1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea has a molecular weight of 316.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea is sourced from PubChem (CID 110666930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).