(3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate

C22H25Cl2N3O2 — CID 142601830

IUPAC(3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate
SMILESCN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C22H25Cl2N3O2/c1-26(22(28)29-14-15-10-17(23)12-18(24)11-15)21-5-3-16-2-4-19(13-20(16)21)27-8-6-25-7-9-27/h2,4,10-13,21,25H,3,5-9,14H2,1H3
InChIKeyZEIARKMZAVCCTQ-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.66
Rot. Bonds4

About (3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate

(3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate (PubChem CID 142601830) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is (3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate.

Molecular Properties

Compound Name(3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate
PubChem CID142601830
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name(3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate
SMILESCN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C22H25Cl2N3O2/c1-26(22(28)29-14-15-10-17(23)12-18(24)11-15)21-5-3-16-2-4-19(13-20(16)21)27-8-6-25-7-9-27/h2,4,10-13,21,25H,3,5-9,14H2,1H3
InChIKeyZEIARKMZAVCCTQ-UHFFFAOYSA-N
XLogP4.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 161220741
(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(2-methylsulfonylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 146604841
(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate
CID 175044380
(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 159877326
(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid
CID 155169023
benzyl (1S,5R)-1,5-dimethyl-8-piperazin-1-yl-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 138464741
2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
CID 61067994
N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide
CID 165087943
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
[3-[[(2,4-dichlorophenyl)-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]carbamoyl]-methylamino]-2,3-dihydro-1H-inden-5-yl] hydrogen carbonate
CID 66826656
2-chloro-N-(cyclooctylmethyl)-5-piperazin-1-ylbenzamide;methane
CID 173258924
1-(7-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 28707370

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate?
The IUPAC name of (3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate (CID 142601830) is (3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate.
What is the SMILES notation for (3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate?
The canonical SMILES for (3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate is CN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(N3CCNCC3)cc21.
What is the InChIKey of (3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate?
The InChIKey is ZEIARKMZAVCCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-26(22(28)29-14-15-10-17(23)12-18(24)11-15)21-5-3-16-2-4-19(13-20(16)21)27-8-6-25-7-9-27/h2,4,10-13,21,25H,3,5-9,14H2,1H3.
What are the key properties of (3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate?
(3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate has a molecular weight of 434.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate is sourced from PubChem (CID 142601830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).