1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone

C25H31Cl2N3O — CID 44516665

IUPAC1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C25H31Cl2N3O/c1-19-10-12-28(13-11-19)18-24(31)29-14-16-30(17-15-29)25(20-6-8-21(26)9-7-20)22-4-2-3-5-23(22)27/h2-9,19,25H,10-18H2,1H3
InChIKeyVPHLYSCICNUWCM-UHFFFAOYSA-N
MW460.45 g/mol
LogP4.96
Rot. Bonds5

About 1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone

1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 44516665) has the molecular formula C25H31Cl2N3O and a molecular weight of 460.45 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID44516665
Molecular FormulaC25H31Cl2N3O
Molecular Weight460.45 g/mol
Exact Mass459.18
IUPAC Name1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C25H31Cl2N3O/c1-19-10-12-28(13-11-19)18-24(31)29-14-16-30(17-15-29)25(20-6-8-21(26)9-7-20)22-4-2-3-5-23(22)27/h2-9,19,25H,10-18H2,1H3
InChIKeyVPHLYSCICNUWCM-UHFFFAOYSA-N
XLogP4.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10005964
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 55475688
1-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119874454
1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 3465091
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705343
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(N-phenylanilino)ethanone
CID 11634655
N-[1-(2-chlorophenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 86914240
2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 57442367
(1R,2R,6S,7R)-4-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98182204
2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
CID 92573658
1-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-[(6R)-4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl]ethanone
CID 92653490

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone (CID 44516665) is 1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccccc3Cl)CC2)CC1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is VPHLYSCICNUWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2N3O/c1-19-10-12-28(13-11-19)18-24(31)29-14-16-30(17-15-29)25(20-6-8-21(26)9-7-20)22-4-2-3-5-23(22)27/h2-9,19,25H,10-18H2,1H3.
What are the key properties of 1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 460.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 44516665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).