4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride

C19H25Cl2N3O2 — CID 119795936

IUPAC4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C19H24ClN3O2.ClH/c20-15-5-1-12(2-6-15)10-22-7-8-23(11-16(22)24)19(25)17-13-3-4-14(9-13)18(17)21;/h1-2,5-6,13-14,17-18H,3-4,7-11,21H2;1H
InChIKeyWSGUSZDHSDVKEH-UHFFFAOYSA-N
MW398.33 g/mol
LogP2.31
Rot. Bonds3

About 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride

4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride (PubChem CID 119795936) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
PubChem CID119795936
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C19H24ClN3O2.ClH/c20-15-5-1-12(2-6-15)10-22-7-8-23(11-16(22)24)19(25)17-13-3-4-14(9-13)18(17)21;/h1-2,5-6,13-14,17-18H,3-4,7-11,21H2;1H
InChIKeyWSGUSZDHSDVKEH-UHFFFAOYSA-N
XLogP2.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride with MolForge

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Related Compounds

4-[(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carbonyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 133119416
1-[(4-chlorophenyl)methyl]-4-(pyrrolidine-2-carbonyl)piperazin-2-one
CID 119330488
4-(3-amino-2-methylbutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120501277
1-[(4-chlorophenyl)methyl]-4-[(3S)-1,1-dioxothiolane-3-carbonyl]piperazin-2-one
CID 100618880
4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
CID 119330503
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-chlorophenyl)ethanone
CID 116580665
(1S,2R,3R,4S)-3-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51008772
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119716916
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1-[(4-chlorophenyl)methyl]piperazin-2-one
CID 119795947
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119686577
(3-amino-2-bicyclo[2.2.1]heptanyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119733362
4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one
CID 119330494

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride?
The IUPAC name of 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride (CID 119795936) is 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1.
What is the InChIKey of 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride?
The InChIKey is WSGUSZDHSDVKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.ClH/c20-15-5-1-12(2-6-15)10-22-7-8-23(11-16(22)24)19(25)17-13-3-4-14(9-13)18(17)21;/h1-2,5-6,13-14,17-18H,3-4,7-11,21H2;1H.
What are the key properties of 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride?
4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride has a molecular weight of 398.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 119795936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).