4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one

C12H15ClN2O2 — CID 8548890

IUPAC4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1ccc(Cl)cc1CN1CCNC(=O)C1
InChIInChI=1S/C12H15ClN2O2/c1-17-11-3-2-10(13)6-9(11)7-15-5-4-14-12(16)8-15/h2-3,6H,4-5,7-8H2,1H3,(H,14,16)
InChIKeyDIOMNAHNTQPJFL-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.28
Rot. Bonds3

About 4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one

4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one (PubChem CID 8548890) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one
PubChem CID8548890
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1ccc(Cl)cc1CN1CCNC(=O)C1
InChIInChI=1S/C12H15ClN2O2/c1-17-11-3-2-10(13)6-9(11)7-15-5-4-14-12(16)8-15/h2-3,6H,4-5,7-8H2,1H3,(H,14,16)
InChIKeyDIOMNAHNTQPJFL-UHFFFAOYSA-N
XLogP1.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-amino-2-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 65361272
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680385
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
4-[(2-amino-4-methoxy-1,3-benzothiazol-7-yl)methyl]piperazin-2-one
CID 87949298
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120641411
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-(2-chloroethyl)-4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 63387973

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one (CID 8548890) is 4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one is COc1ccc(Cl)cc1CN1CCNC(=O)C1.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one?
The InChIKey is DIOMNAHNTQPJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-11-3-2-10(13)6-9(11)7-15-5-4-14-12(16)8-15/h2-3,6H,4-5,7-8H2,1H3,(H,14,16).
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one?
4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one has a molecular weight of 254.72 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 8548890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).