6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione

C23H23ClFN3O2 — CID 23028980

IUPAC6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2CCC(Cc3cc(F)ccc3Cl)CC2)[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C23H23ClFN3O2/c24-21-7-6-18(25)13-17(21)12-16-8-10-27(11-9-16)15-19-14-22(29)28(23(30)26-19)20-4-2-1-3-5-20/h1-7,13-14,16H,8-12,15H2,(H,26,30)
InChIKeyZFMTYCXRTSVLTM-UHFFFAOYSA-N
MW427.91 g/mol
LogP3.77
Rot. Bonds5

About 6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione

6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 23028980) has the molecular formula C23H23ClFN3O2 and a molecular weight of 427.91 g/mol. Its IUPAC name is 6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione
PubChem CID23028980
Molecular FormulaC23H23ClFN3O2
Molecular Weight427.91 g/mol
Exact Mass427.15
IUPAC Name6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2CCC(Cc3cc(F)ccc3Cl)CC2)[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C23H23ClFN3O2/c24-21-7-6-18(25)13-17(21)12-16-8-10-27(11-9-16)15-19-14-22(29)28(23(30)26-19)20-4-2-1-3-5-20/h1-7,13-14,16H,8-12,15H2,(H,26,30)
InChIKeyZFMTYCXRTSVLTM-UHFFFAOYSA-N
XLogP3.77
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methyl-3-phenylpyrimidine-2,4-dione
CID 23029472
3-benzyl-6-[[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 23029295
1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-diazinan-2-one
CID 23029890
3-benzyl-5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazolidin-2-one
CID 23028998
5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-thiazolidin-2-one
CID 23029537
1-benzyl-4-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-diazinan-2-one
CID 23030029
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
2-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 99826521
3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 56748677
1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 71321687
9-[(2-chlorophenyl)methyl]-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 162913479
1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione (CID 23028980) is 6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione is O=c1cc(CN2CCC(Cc3cc(F)ccc3Cl)CC2)[nH]c(=O)n1-c1ccccc1.
What is the InChIKey of 6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZFMTYCXRTSVLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O2/c24-21-7-6-18(25)13-17(21)12-16-8-10-27(11-9-16)15-19-14-22(29)28(23(30)26-19)20-4-2-1-3-5-20/h1-7,13-14,16H,8-12,15H2,(H,26,30).
What are the key properties of 6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione?
6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 427.91 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23028980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).