1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea

C20H27N5O2 — CID 19778071

IUPAC1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea
SMILESCCCCNC(=O)NC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C20H27N5O2/c1-2-3-10-22-20(27)23-17-8-12-24(13-9-17)19(26)16-4-6-18(7-5-16)25-14-11-21-15-25/h4-7,11,14-15,17H,2-3,8-10,12-13H2,1H3,(H2,22,23,27)
InChIKeyWEBWQTBLDSWFRL-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.58
Rot. Bonds6

About 1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea

1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea (PubChem CID 19778071) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea
PubChem CID19778071
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea
SMILESCCCCNC(=O)NC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C20H27N5O2/c1-2-3-10-22-20(27)23-17-8-12-24(13-9-17)19(26)16-4-6-18(7-5-16)25-14-11-21-15-25/h4-7,11,14-15,17H,2-3,8-10,12-13H2,1H3,(H2,22,23,27)
InChIKeyWEBWQTBLDSWFRL-UHFFFAOYSA-N
XLogP2.58
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)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

azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 167941167
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 127165661
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
(4-butyldiazepan-1-yl)-(4-imidazol-1-ylphenyl)methanone
CID 21275399
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea
CID 146137682
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea?
The IUPAC name of 1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea (CID 19778071) is 1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea is CCCCNC(=O)NC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of 1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea?
The InChIKey is WEBWQTBLDSWFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-2-3-10-22-20(27)23-17-8-12-24(13-9-17)19(26)16-4-6-18(7-5-16)25-14-11-21-15-25/h4-7,11,14-15,17H,2-3,8-10,12-13H2,1H3,(H2,22,23,27).
What are the key properties of 1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea?
1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea has a molecular weight of 369.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea is sourced from PubChem (CID 19778071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).