(1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride

C13H18Cl4N4O — CID 119844341

IUPAC(1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C13H16Cl2N4O.2ClH/c14-9-7-10(15)11(17-8-9)18-3-5-19(6-4-18)12(20)13(16)1-2-13;;/h7-8H,1-6,16H2;2*1H
InChIKeyPFEGVJQXDFPWEP-UHFFFAOYSA-N
MW388.13 g/mol
LogP2.37
Rot. Bonds2

About (1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride

(1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119844341) has the molecular formula C13H18Cl4N4O and a molecular weight of 388.13 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119844341
Molecular FormulaC13H18Cl4N4O
Molecular Weight388.13 g/mol
Exact Mass386.02
IUPAC Name(1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C13H16Cl2N4O.2ClH/c14-9-7-10(15)11(17-8-9)18-3-5-19(6-4-18)12(20)13(16)1-2-13;;/h7-8H,1-6,16H2;2*1H
InChIKeyPFEGVJQXDFPWEP-UHFFFAOYSA-N
XLogP2.37
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.13
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 119844372
3-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]butan-1-one
CID 119844408
2-(4-aminophenyl)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119844349
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
(2S)-2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119844383
(3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119844355
2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 120595187
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
2-[[2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetic acid
CID 119906280
(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 87006636
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 119844358

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride (CID 119844341) is (1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is PFEGVJQXDFPWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4O.2ClH/c14-9-7-10(15)11(17-8-9)18-3-5-19(6-4-18)12(20)13(16)1-2-13;;/h7-8H,1-6,16H2;2*1H.
What are the key properties of (1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride?
(1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 388.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119844341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).