1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione

C22H28ClN5O4 — CID 174206311

IUPAC1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione
SMILESO=C(COc1ccc(Cl)c(-n2ccc(=O)[nH]c2=O)c1)N1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C22H28ClN5O4/c23-18-2-1-17(13-19(18)28-10-5-20(29)25-22(28)31)32-15-21(30)27-8-3-16(4-9-27)14-26-11-6-24-7-12-26/h1-2,5,10,13,16,24H,3-4,6-9,11-12,14-15H2,(H,25,29,31)
InChIKeyKUFMUDBVEVAXIC-UHFFFAOYSA-N
MW461.95 g/mol
LogP0.70
Rot. Bonds6

About 1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione

1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione (PubChem CID 174206311) has the molecular formula C22H28ClN5O4 and a molecular weight of 461.95 g/mol. Its IUPAC name is 1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione
PubChem CID174206311
Molecular FormulaC22H28ClN5O4
Molecular Weight461.95 g/mol
Exact Mass461.18
IUPAC Name1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione
SMILESO=C(COc1ccc(Cl)c(-n2ccc(=O)[nH]c2=O)c1)N1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C22H28ClN5O4/c23-18-2-1-17(13-19(18)28-10-5-20(29)25-22(28)31)32-15-21(30)27-8-3-16(4-9-27)14-26-11-6-24-7-12-26/h1-2,5,10,13,16,24H,3-4,6-9,11-12,14-15H2,(H,25,29,31)
InChIKeyKUFMUDBVEVAXIC-UHFFFAOYSA-N
XLogP0.70
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[2-chloro-5-[9-(piperazin-1-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]pyrimidine-2,4-dione
CID 174206811
4-[[1-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylic acid
CID 175325032
1-[2-chloro-5-[2-[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethoxy]phenyl]-1,3-diazinane-2,4-dione
CID 174198515
2-(4-chloro-3-methylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958047
2-(3,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119645223
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 883850
2-(3-chloro-4-fluorophenoxy)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416174
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid
CID 82147640
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
1-[4-[(benzylamino)methyl]piperidin-1-yl]-2-(3,4-dichlorophenoxy)ethanone
CID 138623889

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione (CID 174206311) is 1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione is O=C(COc1ccc(Cl)c(-n2ccc(=O)[nH]c2=O)c1)N1CCC(CN2CCNCC2)CC1.
What is the InChIKey of 1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione?
The InChIKey is KUFMUDBVEVAXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O4/c23-18-2-1-17(13-19(18)28-10-5-20(29)25-22(28)31)32-15-21(30)27-8-3-16(4-9-27)14-26-11-6-24-7-12-26/h1-2,5,10,13,16,24H,3-4,6-9,11-12,14-15H2,(H,25,29,31).
What are the key properties of 1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione?
1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione has a molecular weight of 461.95 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[2-oxo-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]ethoxy]phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 174206311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).