1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea

C14H19Cl2N3O — CID 6464584

IUPAC1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N3O/c15-11-5-4-6-12(13(11)16)18-14(20)17-7-10-19-8-2-1-3-9-19/h4-6H,1-3,7-10H2,(H2,17,18,20)
InChIKeyMAEVNNAEOOHAQS-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.60
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea

1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 6464584) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID6464584
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N3O/c15-11-5-4-6-12(13(11)16)18-14(20)17-7-10-19-8-2-1-3-9-19/h4-6H,1-3,7-10H2,(H2,17,18,20)
InChIKeyMAEVNNAEOOHAQS-UHFFFAOYSA-N
XLogP3.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea (CID 6464584) is 1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea is O=C(NCCN1CCCCC1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is MAEVNNAEOOHAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c15-11-5-4-6-12(13(11)16)18-14(20)17-7-10-19-8-2-1-3-9-19/h4-6H,1-3,7-10H2,(H2,17,18,20).
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 316.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 6464584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).