2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone

C17H23Cl2N3O — CID 86905781

IUPAC2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN(Cc2cccc(Cl)c2Cl)CC1)C1CC1
InChIInChI=1S/C17H23Cl2N3O/c1-20(14-5-6-14)12-16(23)22-9-7-21(8-10-22)11-13-3-2-4-15(18)17(13)19/h2-4,14H,5-12H2,1H3
InChIKeyPVQAUSMZAPZZIL-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.73
Rot. Bonds5

About 2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone

2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 86905781) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone
PubChem CID86905781
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN(Cc2cccc(Cl)c2Cl)CC1)C1CC1
InChIInChI=1S/C17H23Cl2N3O/c1-20(14-5-6-14)12-16(23)22-9-7-21(8-10-22)11-13-3-2-4-15(18)17(13)19/h2-4,14H,5-12H2,1H3
InChIKeyPVQAUSMZAPZZIL-UHFFFAOYSA-N
XLogP2.73
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 86903567
(2R)-2-amino-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 99718988
5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 86903510
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107310040
N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 25487251
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 86903654
(4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 86903667
1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 86903538
N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 8843504
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone (CID 86905781) is 2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone is CN(CC(=O)N1CCN(Cc2cccc(Cl)c2Cl)CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is PVQAUSMZAPZZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O/c1-20(14-5-6-14)12-16(23)22-9-7-21(8-10-22)11-13-3-2-4-15(18)17(13)19/h2-4,14H,5-12H2,1H3.
What are the key properties of 2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone?
2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 356.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 86905781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).