[1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea

C16H22ClN3O2 — CID 4883314

IUPAC[1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea
SMILESCC1CCN(C(=O)CC(NC(N)=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O2/c1-11-6-8-20(9-7-11)15(21)10-14(19-16(18)22)12-4-2-3-5-13(12)17/h2-5,11,14H,6-10H2,1H3,(H3,18,19,22)
InChIKeySWVNLWNPMPTJGL-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.70
Rot. Bonds4

About [1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea

[1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea (PubChem CID 4883314) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea
PubChem CID4883314
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name[1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea
SMILESCC1CCN(C(=O)CC(NC(N)=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O2/c1-11-6-8-20(9-7-11)15(21)10-14(19-16(18)22)12-4-2-3-5-13(12)17/h2-5,11,14H,6-10H2,1H3,(H3,18,19,22)
InChIKeySWVNLWNPMPTJGL-UHFFFAOYSA-N
XLogP2.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea?
The IUPAC name of [1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea (CID 4883314) is [1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea?
The canonical SMILES for [1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea is CC1CCN(C(=O)CC(NC(N)=O)c2ccccc2Cl)CC1.
What is the InChIKey of [1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea?
The InChIKey is SWVNLWNPMPTJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11-6-8-20(9-7-11)15(21)10-14(19-16(18)22)12-4-2-3-5-13(12)17/h2-5,11,14H,6-10H2,1H3,(H3,18,19,22).
What are the key properties of [1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea?
[1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea has a molecular weight of 323.82 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea is sourced from PubChem (CID 4883314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).