(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone

C17H22Cl2N4O — CID 119844358

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESNC1C2CCC(C2)C1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N4O/c18-12-8-13(19)16(21-9-12)22-3-5-23(6-4-22)17(24)14-10-1-2-11(7-10)15(14)20/h8-11,14-15H,1-7,20H2
InChIKeyIZZZTSRHBBXACU-UHFFFAOYSA-N
MW369.30 g/mol
LogP2.41
Rot. Bonds2

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 119844358) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID119844358
Molecular FormulaC17H22Cl2N4O
Molecular Weight369.30 g/mol
Exact Mass368.12
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESNC1C2CCC(C2)C1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N4O/c18-12-8-13(19)16(21-9-12)22-3-5-23(6-4-22)17(24)14-10-1-2-11(7-10)15(14)20/h8-11,14-15H,1-7,20H2
InChIKeyIZZZTSRHBBXACU-UHFFFAOYSA-N
XLogP2.41
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119827954
(3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119844355
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119884643
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587175
2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 119844372
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenylpiperazin-1-yl)methanone;dihydrochloride
CID 119826840
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
(1-aminocyclopropyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119844341
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119686577

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone (CID 119844358) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone is NC1C2CCC(C2)C1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is IZZZTSRHBBXACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O/c18-12-8-13(19)16(21-9-12)22-3-5-23(6-4-22)17(24)14-10-1-2-11(7-10)15(14)20/h8-11,14-15H,1-7,20H2.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 369.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119844358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).