1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea

C15H23N3O2 — CID 24703297

IUPAC1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea
SMILESCOc1ccc(NC(=O)NCCC2CCCCN2)cc1
InChIInChI=1S/C15H23N3O2/c1-20-14-7-5-13(6-8-14)18-15(19)17-11-9-12-4-2-3-10-16-12/h5-8,12,16H,2-4,9-11H2,1H3,(H2,17,18,19)
InChIKeyGRAYEYVFIJQOQY-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea

1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea (PubChem CID 24703297) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea
PubChem CID24703297
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea
SMILESCOc1ccc(NC(=O)NCCC2CCCCN2)cc1
InChIInChI=1S/C15H23N3O2/c1-20-14-7-5-13(6-8-14)18-15(19)17-11-9-12-4-2-3-10-16-12/h5-8,12,16H,2-4,9-11H2,1H3,(H2,17,18,19)
InChIKeyGRAYEYVFIJQOQY-UHFFFAOYSA-N
XLogP2.35
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[2-[(2S)-pyrrolidin-2-yl]ethyl]urea
CID 104972330
1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea
CID 145146938
N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide
CID 118781403
3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629798
1-(3-chloro-4-methylphenyl)-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794048
(E)-3-(4-methoxyphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-enamide
CID 104955250
1-(4-methoxyphenyl)-3-(2-piperidin-4-yloxyethyl)urea
CID 63871420
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
4-methoxy-N-(4-methoxyphenyl)-N-[4-(2-piperidin-2-ylethoxy)phenyl]benzamide
CID 69172491
N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide
CID 115071361
1-[(4-methoxyphenyl)methyl]-3-(pyrrolidin-2-ylmethyl)urea
CID 117235618
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea (CID 24703297) is 1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea is COc1ccc(NC(=O)NCCC2CCCCN2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea?
The InChIKey is GRAYEYVFIJQOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-14-7-5-13(6-8-14)18-15(19)17-11-9-12-4-2-3-10-16-12/h5-8,12,16H,2-4,9-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea?
1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2-piperidin-2-ylethyl)urea is sourced from PubChem (CID 24703297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).