1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea

C18H26N4O3 — CID 125163480

IUPAC1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCc1ccc(N2CCCC2=O)cc1NC(=O)NC[C@@]1(O)CCCNC1
InChIInChI=1S/C18H26N4O3/c1-13-5-6-14(22-9-2-4-16(22)23)10-15(13)21-17(24)20-12-18(25)7-3-8-19-11-18/h5-6,10,19,25H,2-4,7-9,11-12H2,1H3,(H2,20,21,24)/t18-/m1/s1
InChIKeyULJMTJNNIRDGQB-GOSISDBHSA-N
MW346.43 g/mol
LogP1.36
Rot. Bonds4

About 1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 125163480) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID125163480
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCc1ccc(N2CCCC2=O)cc1NC(=O)NC[C@@]1(O)CCCNC1
InChIInChI=1S/C18H26N4O3/c1-13-5-6-14(22-9-2-4-16(22)23)10-15(13)21-17(24)20-12-18(25)7-3-8-19-11-18/h5-6,10,19,25H,2-4,7-9,11-12H2,1H3,(H2,20,21,24)/t18-/m1/s1
InChIKeyULJMTJNNIRDGQB-GOSISDBHSA-N
XLogP1.36
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 125163480) is 1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea is Cc1ccc(N2CCCC2=O)cc1NC(=O)NC[C@@]1(O)CCCNC1.
What is the InChIKey of 1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is ULJMTJNNIRDGQB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-5-6-14(22-9-2-4-16(22)23)10-15(13)21-17(24)20-12-18(25)7-3-8-19-11-18/h5-6,10,19,25H,2-4,7-9,11-12H2,1H3,(H2,20,21,24)/t18-/m1/s1.
What are the key properties of 1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 346.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 125163480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).