(3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea

C15H21N3O — CID 21413896

IUPAC(3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea
SMILESCCN(C(=O)/N=C1/CCCCN1C)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-3-18(13-9-5-4-6-10-13)15(19)16-14-11-7-8-12-17(14)2/h4-6,9-10H,3,7-8,11-12H2,1-2H3/b16-14-
InChIKeyWXDAUVDSSUXVDW-PEZBUJJGSA-N
MW259.35 g/mol
LogP3.15
Rot. Bonds2

About (3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea

(3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea (PubChem CID 21413896) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea.

Molecular Properties

Compound Name(3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea
PubChem CID21413896
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea
SMILESCCN(C(=O)/N=C1/CCCCN1C)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-3-18(13-9-5-4-6-10-13)15(19)16-14-11-7-8-12-17(14)2/h4-6,9-10H,3,7-8,11-12H2,1-2H3/b16-14-
InChIKeyWXDAUVDSSUXVDW-PEZBUJJGSA-N
XLogP3.15
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-1-ethyl-1-(2-ethylphenyl)-3-(1-methylpiperidin-2-ylidene)urea
CID 21413877
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
1-ethyl-3-imino-1-phenylurea
CID 70142844
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
CID 59546398
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
N-ethyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754675
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
CID 113177031
1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea
CID 108991537
2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264971

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea?
The IUPAC name of (3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea (CID 21413896) is (3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea.
What is the SMILES notation for (3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea?
The canonical SMILES for (3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea is CCN(C(=O)/N=C1/CCCCN1C)c1ccccc1.
What is the InChIKey of (3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea?
The InChIKey is WXDAUVDSSUXVDW-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-18(13-9-5-4-6-10-13)15(19)16-14-11-7-8-12-17(14)2/h4-6,9-10H,3,7-8,11-12H2,1-2H3/b16-14-.
What are the key properties of (3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea?
(3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea has a molecular weight of 259.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-ethyl-3-(1-methylpiperidin-2-ylidene)-1-phenylurea is sourced from PubChem (CID 21413896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).