1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea

C18H26ClN3O2 — CID 4256157

IUPAC1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea
SMILESCCCCN(C(=O)Nc1ccc(Cl)cc1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C18H26ClN3O2/c1-3-4-11-22(17-9-12-21(13-10-17)14(2)23)18(24)20-16-7-5-15(19)6-8-16/h5-8,17H,3-4,9-13H2,1-2H3,(H,20,24)
InChIKeyLBHUKJXZUPVPAW-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.98
Rot. Bonds5

About 1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea

1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea (PubChem CID 4256157) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea
PubChem CID4256157
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea
SMILESCCCCN(C(=O)Nc1ccc(Cl)cc1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C18H26ClN3O2/c1-3-4-11-22(17-9-12-21(13-10-17)14(2)23)18(24)20-16-7-5-15(19)6-8-16/h5-8,17H,3-4,9-13H2,1-2H3,(H,20,24)
InChIKeyLBHUKJXZUPVPAW-UHFFFAOYSA-N
XLogP3.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Monuron
CID 8800
Monolinuron
CID 15629
Monomethylmonuron
CID 79309
Neburon
CID 11145
N'-(3-Chlorophenyl)-N,N-dimethylurea
CID 11480
Buturon
CID 19587
SR1848
CID 3238389
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320
Nbd-556
CID 1570601
N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
Clibucaine
CID 65613
1-(4-Chlorophenyl)-3-cyclohexylurea
CID 238899

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea (CID 4256157) is 1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea is CCCCN(C(=O)Nc1ccc(Cl)cc1)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea?
The InChIKey is LBHUKJXZUPVPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-3-4-11-22(17-9-12-21(13-10-17)14(2)23)18(24)20-16-7-5-15(19)6-8-16/h5-8,17H,3-4,9-13H2,1-2H3,(H,20,24).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea?
1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea has a molecular weight of 351.88 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-1-butyl-3-(4-chlorophenyl)urea is sourced from PubChem (CID 4256157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).