(3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea

C17H25N3O — CID 21413877

IUPAC(3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea
SMILESCCc1ccccc1N(CC)C(=O)/N=C1/CCCCN1C
InChIInChI=1S/C17H25N3O/c1-4-14-10-6-7-11-15(14)20(5-2)17(21)18-16-12-8-9-13-19(16)3/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3/b18-16-
InChIKeySKXMDOYIYJHKTC-VLGSPTGOSA-N
MW287.41 g/mol
LogP3.71
Rot. Bonds3

About (3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea

(3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea (PubChem CID 21413877) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea.

Molecular Properties

Compound Name(3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea
PubChem CID21413877
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea
SMILESCCc1ccccc1N(CC)C(=O)/N=C1/CCCCN1C
InChIInChI=1S/C17H25N3O/c1-4-14-10-6-7-11-15(14)20(5-2)17(21)18-16-12-8-9-13-19(16)3/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3/b18-16-
InChIKeySKXMDOYIYJHKTC-VLGSPTGOSA-N
XLogP3.71
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea
CID 21413896
(3E)-1-(2,6-diethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
CID 6445862
N-(1-methylazepan-2-ylidene)benzamide
CID 2345180
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
1-(2-chlorophenyl)-1-ethyl-3-(oxomethylidene)urea
CID 134892075
(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-pentylurea
CID 15585200
N-(2-ethylphenyl)-N-methyl-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551165
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
(3E)-1-[2,6-di(propan-2-yl)phenyl]-3-(1-methylpyrrolidin-2-ylidene)urea;hydrochloride
CID 6446893
ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one
CID 145026761
N-(2-ethylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113169094
3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113125296

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea?
The IUPAC name of (3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea (CID 21413877) is (3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea.
What is the SMILES notation for (3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea?
The canonical SMILES for (3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea is CCc1ccccc1N(CC)C(=O)/N=C1/CCCCN1C.
What is the InChIKey of (3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea?
The InChIKey is SKXMDOYIYJHKTC-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-14-10-6-7-11-15(14)20(5-2)17(21)18-16-12-8-9-13-19(16)3/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3/b18-16-.
What are the key properties of (3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea?
(3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea has a molecular weight of 287.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea is sourced from PubChem (CID 21413877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).