1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea

C25H36N4O3 — CID 166232757

IUPAC1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
SMILESO=C(NC1CCN(CCCc2ccccc2)C1=O)NC1CCCN(C2CCCCC2)C1=O
InChIInChI=1S/C25H36N4O3/c30-23-22(15-18-28(23)16-7-11-19-9-3-1-4-10-19)27-25(32)26-21-14-8-17-29(24(21)31)20-12-5-2-6-13-20/h1,3-4,9-10,20-22H,2,5-8,11-18H2,(H2,26,27,32)
InChIKeyCBAFAIBPPOQNQM-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.84
Rot. Bonds7

About 1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea

1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea (PubChem CID 166232757) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
PubChem CID166232757
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
SMILESO=C(NC1CCN(CCCc2ccccc2)C1=O)NC1CCCN(C2CCCCC2)C1=O
InChIInChI=1S/C25H36N4O3/c30-23-22(15-18-28(23)16-7-11-19-9-3-1-4-10-19)27-25(32)26-21-14-8-17-29(24(21)31)20-12-5-2-6-13-20/h1,3-4,9-10,20-22H,2,5-8,11-18H2,(H2,26,27,32)
InChIKeyCBAFAIBPPOQNQM-UHFFFAOYSA-N
XLogP2.84
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea (CID 166232757) is 1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea is O=C(NC1CCN(CCCc2ccccc2)C1=O)NC1CCCN(C2CCCCC2)C1=O.
What is the InChIKey of 1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea?
The InChIKey is CBAFAIBPPOQNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c30-23-22(15-18-28(23)16-7-11-19-9-3-1-4-10-19)27-25(32)26-21-14-8-17-29(24(21)31)20-12-5-2-6-13-20/h1,3-4,9-10,20-22H,2,5-8,11-18H2,(H2,26,27,32).
What are the key properties of 1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea?
1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea has a molecular weight of 440.59 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 166232757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).