4-[bis(4-chlorophenyl)methyl]piperazin-2-one

C17H16Cl2N2O — CID 68931779

IUPAC4-[bis(4-chlorophenyl)methyl]piperazin-2-one
SMILESO=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C17H16Cl2N2O/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)21-10-9-20-16(22)11-21/h1-8,17H,9-11H2,(H,20,22)
InChIKeyIYMOXIMUYCCCAW-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.51
Rot. Bonds3

About 4-[bis(4-chlorophenyl)methyl]piperazin-2-one

4-[bis(4-chlorophenyl)methyl]piperazin-2-one (PubChem CID 68931779) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 4-[bis(4-chlorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[bis(4-chlorophenyl)methyl]piperazin-2-one
PubChem CID68931779
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name4-[bis(4-chlorophenyl)methyl]piperazin-2-one
SMILESO=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C17H16Cl2N2O/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)21-10-9-20-16(22)11-21/h1-8,17H,9-11H2,(H,20,22)
InChIKeyIYMOXIMUYCCCAW-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-chlorophenyl)ethyl]piperazin-2-one
CID 47358336
4-[2-amino-1-(4-chlorophenyl)butyl]-1,4-diazepan-2-one
CID 65361217
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
(2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide
CID 67518815
4-[3,3-bis(4-chlorophenyl)propanoyl]piperazin-2-one;4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 158029999
4-[[4-[(S)-(4-chlorophenyl)-[3-[(3,5-difluorophenyl)-methylsulfonylmethylidene]azetidin-1-yl]methyl]phenyl]methyl]piperazin-2-one
CID 10120738
1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol
CID 170615369
(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516323
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;1-[(R)-(4-chlorophenyl)-phenylmethyl]piperidine;methane
CID 160506934
1,8,11,14,21,24,29,36-octazapentacyclo[19.5.5.58,14.23,6.216,19]tetraconta-3(40),4,6(39),16,18,32-hexaene-10,25,28,37-tetrone
CID 10769955
2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 118962985
1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine
CID 4738631

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-chlorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[bis(4-chlorophenyl)methyl]piperazin-2-one (CID 68931779) is 4-[bis(4-chlorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[bis(4-chlorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[bis(4-chlorophenyl)methyl]piperazin-2-one is O=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1.
What is the InChIKey of 4-[bis(4-chlorophenyl)methyl]piperazin-2-one?
The InChIKey is IYMOXIMUYCCCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)21-10-9-20-16(22)11-21/h1-8,17H,9-11H2,(H,20,22).
What are the key properties of 4-[bis(4-chlorophenyl)methyl]piperazin-2-one?
4-[bis(4-chlorophenyl)methyl]piperazin-2-one has a molecular weight of 335.23 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-chlorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 68931779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).