1-(3-ethylphenyl)-3-piperidin-4-ylurea

C14H21N3O — CID 91143160

IUPAC1-(3-ethylphenyl)-3-piperidin-4-ylurea
SMILESCCc1cccc(NC(=O)NC2CCNCC2)c1
InChIInChI=1S/C14H21N3O/c1-2-11-4-3-5-13(10-11)17-14(18)16-12-6-8-15-9-7-12/h3-5,10,12,15H,2,6-9H2,1H3,(H2,16,17,18)
InChIKeyREAZRYSBFZBOMH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.12
Rot. Bonds3

About 1-(3-ethylphenyl)-3-piperidin-4-ylurea

1-(3-ethylphenyl)-3-piperidin-4-ylurea (PubChem CID 91143160) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3-piperidin-4-ylurea
PubChem CID91143160
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(3-ethylphenyl)-3-piperidin-4-ylurea
SMILESCCc1cccc(NC(=O)NC2CCNCC2)c1
InChIInChI=1S/C14H21N3O/c1-2-11-4-3-5-13(10-11)17-14(18)16-12-6-8-15-9-7-12/h3-5,10,12,15H,2,6-9H2,1H3,(H2,16,17,18)
InChIKeyREAZRYSBFZBOMH-UHFFFAOYSA-N
XLogP2.12
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid
CID 115340762
N-(3-ethylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607180
1-(3-nitrophenyl)-3-piperidin-4-ylurea
CID 43167665
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826265
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
1-[3-(ethylsulfanylmethyl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 111475151
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826264
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea
CID 92713540
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride
CID 165429684
N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
CID 47033628
1-[(3S,5S,9S)-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-5-yl]-3-(3-ethylphenyl)urea
CID 126461446

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3-piperidin-4-ylurea?
The IUPAC name of 1-(3-ethylphenyl)-3-piperidin-4-ylurea (CID 91143160) is 1-(3-ethylphenyl)-3-piperidin-4-ylurea.
What is the SMILES notation for 1-(3-ethylphenyl)-3-piperidin-4-ylurea?
The canonical SMILES for 1-(3-ethylphenyl)-3-piperidin-4-ylurea is CCc1cccc(NC(=O)NC2CCNCC2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3-piperidin-4-ylurea?
The InChIKey is REAZRYSBFZBOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-11-4-3-5-13(10-11)17-14(18)16-12-6-8-15-9-7-12/h3-5,10,12,15H,2,6-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-ethylphenyl)-3-piperidin-4-ylurea?
1-(3-ethylphenyl)-3-piperidin-4-ylurea has a molecular weight of 247.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3-piperidin-4-ylurea is sourced from PubChem (CID 91143160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).