1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea

C22H25N5O4 — CID 47041898

IUPAC1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1cccnc1N1CCOCC1)Nc1ccc(N2C(=O)CCCC2=O)cc1
InChIInChI=1S/C22H25N5O4/c28-19-4-1-5-20(29)27(19)18-8-6-17(7-9-18)25-22(30)24-15-16-3-2-10-23-21(16)26-11-13-31-14-12-26/h2-3,6-10H,1,4-5,11-15H2,(H2,24,25,30)
InChIKeyKSRJRWRFRDIVTO-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.28
Rot. Bonds5

About 1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea

1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea (PubChem CID 47041898) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
PubChem CID47041898
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1cccnc1N1CCOCC1)Nc1ccc(N2C(=O)CCCC2=O)cc1
InChIInChI=1S/C22H25N5O4/c28-19-4-1-5-20(29)27(19)18-8-6-17(7-9-18)25-22(30)24-15-16-3-2-10-23-21(16)26-11-13-31-14-12-26/h2-3,6-10H,1,4-5,11-15H2,(H2,24,25,30)
InChIKeyKSRJRWRFRDIVTO-UHFFFAOYSA-N
XLogP2.28
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033840
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033847
2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413665
1-amino-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847219
1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86987743
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 94029265
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 30867258
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47050133
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47033056
1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea
CID 71655702

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea (CID 47041898) is 1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea is O=C(NCc1cccnc1N1CCOCC1)Nc1ccc(N2C(=O)CCCC2=O)cc1.
What is the InChIKey of 1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
The InChIKey is KSRJRWRFRDIVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c28-19-4-1-5-20(29)27(19)18-8-6-17(7-9-18)25-22(30)24-15-16-3-2-10-23-21(16)26-11-13-31-14-12-26/h2-3,6-10H,1,4-5,11-15H2,(H2,24,25,30).
What are the key properties of 1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea?
1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea has a molecular weight of 423.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 47041898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).