1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea

C17H23Cl2N3O2 — CID 47090143

IUPAC1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
SMILESCC(C)CC(=O)N1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O2/c1-11(2)9-16(23)22-7-5-13(6-8-22)20-17(24)21-15-10-12(18)3-4-14(15)19/h3-4,10-11,13H,5-9H2,1-2H3,(H2,20,21,24)
InChIKeyMRPUFDNLHJLJFA-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.15
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea

1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea (PubChem CID 47090143) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
PubChem CID47090143
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC Name1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
SMILESCC(C)CC(=O)N1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O2/c1-11(2)9-16(23)22-7-5-13(6-8-22)20-17(24)21-15-10-12(18)3-4-14(15)19/h3-4,10-11,13H,5-9H2,1-2H3,(H2,20,21,24)
InChIKeyMRPUFDNLHJLJFA-UHFFFAOYSA-N
XLogP4.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea 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

1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 127228015
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
5-chloro-2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]benzonitrile
CID 133305607
1-[4-(3-chloroanilino)piperidin-1-yl]-3-methylbutan-1-one
CID 5030515
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
methyl 4-chloro-3-[[1-(3-methylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008032
N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007102
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide
CID 25239469
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053319

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea (CID 47090143) is 1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea is CC(C)CC(=O)N1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The InChIKey is MRPUFDNLHJLJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2/c1-11(2)9-16(23)22-7-5-13(6-8-22)20-17(24)21-15-10-12(18)3-4-14(15)19/h3-4,10-11,13H,5-9H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea has a molecular weight of 372.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 47090143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).