1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione

C25H30ClN5O3 — CID 170198016

IUPAC1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC1CN(C2CCN(c3ncccn3)CC2)C(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C25H30ClN5O3/c26-19-4-2-18(3-5-19)14-21-17-34-22(16-31-23(32)6-7-24(31)33)15-30(21)20-8-12-29(13-9-20)25-27-10-1-11-28-25/h1-5,10-11,20-22H,6-9,12-17H2
InChIKeyLTJFBYSKUXWPLY-UHFFFAOYSA-N
MW484.00 g/mol
LogP2.56
Rot. Bonds6

About 1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione

1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 170198016) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is 1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione
PubChem CID170198016
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC1CN(C2CCN(c3ncccn3)CC2)C(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C25H30ClN5O3/c26-19-4-2-18(3-5-19)14-21-17-34-22(16-31-23(32)6-7-24(31)33)15-30(21)20-8-12-29(13-9-20)25-27-10-1-11-28-25/h1-5,10-11,20-22H,6-9,12-17H2
InChIKeyLTJFBYSKUXWPLY-UHFFFAOYSA-N
XLogP2.56
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-chlorophenyl)methyl]-2-(phenoxymethyl)-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
CID 170198288
3-[4-[5-[(4-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 155576976
3-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 155765819
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-[(2,5-dioxopyrrolidin-1-yl)methyl]morpholine-4-carboxylic acid
CID 170308609
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-propan-2-yl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
CID 168679034
3-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 155765957
2-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 168678970
3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(methylsulfinylmethyl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 155765788
(2S,5S)-5-[(4-chlorophenyl)methyl]-4-[1-(4-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-2-methylmorpholine
CID 168679118
3-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-[(3-fluoroazetidin-1-yl)methyl]morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;2,2,2-trifluoroacetic acid
CID 175367738
(2S,5S)-4-[1-(2-bromo-4-pyridinyl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine
CID 168679103
2-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-4-carboxylic acid
CID 168679072

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione (CID 170198016) is 1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC1CN(C2CCN(c3ncccn3)CC2)C(Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of 1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is LTJFBYSKUXWPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c26-19-4-2-18(3-5-19)14-21-17-34-22(16-31-23(32)6-7-24(31)33)15-30(21)20-8-12-29(13-9-20)25-27-10-1-11-28-25/h1-5,10-11,20-22H,6-9,12-17H2.
What are the key properties of 1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione?
1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 484.00 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 170198016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).