1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea

C15H23N3O — CID 6471094

IUPAC1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCc1cccc(NC(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-13-6-5-7-14(12-13)17-15(19)16-8-11-18-9-3-2-4-10-18/h5-7,12H,2-4,8-11H2,1H3,(H2,16,17,19)
InChIKeySANZRLAGMNBKMF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.60
Rot. Bonds4

About 1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea

1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 6471094) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID6471094
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCc1cccc(NC(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-13-6-5-7-14(12-13)17-15(19)16-8-11-18-9-3-2-4-10-18/h5-7,12H,2-4,8-11H2,1H3,(H2,16,17,19)
InChIKeySANZRLAGMNBKMF-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea (CID 6471094) is 1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea is Cc1cccc(NC(=O)NCCN2CCCCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is SANZRLAGMNBKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13-6-5-7-14(12-13)17-15(19)16-8-11-18-9-3-2-4-10-18/h5-7,12H,2-4,8-11H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 261.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 6471094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).