1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea

C15H22ClN3O2 — CID 2225448

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCCN1CCCCC1
InChIInChI=1S/C15H22ClN3O2/c1-21-14-6-5-12(16)11-13(14)18-15(20)17-7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H2,17,18,20)
InChIKeyWLCQXSHKJDDNQP-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.96
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 2225448) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID2225448
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCCN1CCCCC1
InChIInChI=1S/C15H22ClN3O2/c1-21-14-6-5-12(16)11-13(14)18-15(20)17-7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H2,17,18,20)
InChIKeyWLCQXSHKJDDNQP-UHFFFAOYSA-N
XLogP2.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 86990582
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 55696937
1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 22430341
1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 72919615
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea
CID 143075390
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 108875470
1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
CID 971253
1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 89176278
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea (CID 2225448) is 1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea is COc1ccc(Cl)cc1NC(=O)NCCN1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is WLCQXSHKJDDNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-21-14-6-5-12(16)11-13(14)18-15(20)17-7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 311.81 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 2225448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).