3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea

C15H22ClN3O — CID 63637628

IUPAC3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea
SMILESCCCN(C(=O)Nc1ccc(Cl)cc1)C1CCCNC1
InChIInChI=1S/C15H22ClN3O/c1-2-10-19(14-4-3-9-17-11-14)15(20)18-13-7-5-12(16)6-8-13/h5-8,14,17H,2-4,9-11H2,1H3,(H,18,20)
InChIKeyJTEMDVSHROZGJC-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.34
Rot. Bonds4

About 3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea

3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea (PubChem CID 63637628) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea
PubChem CID63637628
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea
SMILESCCCN(C(=O)Nc1ccc(Cl)cc1)C1CCCNC1
InChIInChI=1S/C15H22ClN3O/c1-2-10-19(14-4-3-9-17-11-14)15(20)18-13-7-5-12(16)6-8-13/h5-8,14,17H,2-4,9-11H2,1H3,(H,18,20)
InChIKeyJTEMDVSHROZGJC-UHFFFAOYSA-N
XLogP3.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 63643002
3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea
CID 63300801
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea
CID 63636758
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613335
2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide
CID 63636405
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
CID 60807585
2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977
4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63209531

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea (CID 63637628) is 3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea is CCCN(C(=O)Nc1ccc(Cl)cc1)C1CCCNC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea?
The InChIKey is JTEMDVSHROZGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-10-19(14-4-3-9-17-11-14)15(20)18-13-7-5-12(16)6-8-13/h5-8,14,17H,2-4,9-11H2,1H3,(H,18,20).
What are the key properties of 3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea?
3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea has a molecular weight of 295.81 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea is sourced from PubChem (CID 63637628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).